N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide

C128H132F4I3N15O5 — CID 158613202

IUPACN-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide
SMILESCC(C)CCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(I)c1.CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(I)c1.O=C(c1cccc(F)c1)N(Cc1ccccc1)Cc1nc2ccccc2n1-c1ccccc1.O=C(c1ccccc1)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1
InChIInChI=1S/C28H22FN3O.C26H25N3O.2C25H29FIN3O.C24H27FIN3O/c29-23-13-9-12-22(18-23)28(33)31(19-21-10-3-1-4-11-21)20-27-30-25-16-7-8-17-26(25)32(27)24-14-5-2-6-15-24;30-26(22-11-5-2-6-12-22)28(17-20-9-3-1-4-10-20)19-25-27-23-13-7-8-14-24(23)29(25)18-21-15-16-21;1-17(2)12-13-29(25(31)18-6-5-7-20(27)14-18)16-24-28-22-15-19(26)10-11-23(22)30(24)21-8-3-4-9-21;1-2-3-6-14-29(25(31)18-8-7-9-20(27)15-18)17-24-28-22-16-19(26)12-13-23(22)30(24)21-10-4-5-11-21;1-16(2)14-28(24(30)17-7-10-19(26)11-8-17)15-23-27-21-13-18(25)9-12-22(21)29(23)20-5-3-4-6-20/h1-18H,19-20H2;1-14,21H,15-19H2;5-7,10-11,14-15,17,21H,3-4,8-9,12-13,16H2,1-2H3;7-9,12-13,15-16,21H,2-6,10-11,14,17H2,1H3;7-13,16,20H,3-6,14-15H2,1-2H3
InChIKeyHXBWQZCLHLAUID-UHFFFAOYSA-N
MW2417.27 g/mol
LogP30.80
Rot. Bonds34

About N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide

N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide (PubChem CID 158613202) has the molecular formula C128H132F4I3N15O5 and a molecular weight of 2417.27 g/mol. Its IUPAC name is N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide
PubChem CID158613202
Molecular FormulaC128H132F4I3N15O5
Molecular Weight2417.27 g/mol
Exact Mass2415.76
IUPAC NameN-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide
SMILESCC(C)CCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(I)c1.CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(I)c1.O=C(c1cccc(F)c1)N(Cc1ccccc1)Cc1nc2ccccc2n1-c1ccccc1.O=C(c1ccccc1)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1
InChIInChI=1S/C28H22FN3O.C26H25N3O.2C25H29FIN3O.C24H27FIN3O/c29-23-13-9-12-22(18-23)28(33)31(19-21-10-3-1-4-11-21)20-27-30-25-16-7-8-17-26(25)32(27)24-14-5-2-6-15-24;30-26(22-11-5-2-6-12-22)28(17-20-9-3-1-4-10-20)19-25-27-23-13-7-8-14-24(23)29(25)18-21-15-16-21;1-17(2)12-13-29(25(31)18-6-5-7-20(27)14-18)16-24-28-22-15-19(26)10-11-23(22)30(24)21-8-3-4-9-21;1-2-3-6-14-29(25(31)18-8-7-9-20(27)15-18)17-24-28-22-16-19(26)12-13-23(22)30(24)21-10-4-5-11-21;1-16(2)14-28(24(30)17-7-10-19(26)11-8-17)15-23-27-21-13-18(25)9-12-22(21)29(23)20-5-3-4-6-20/h1-18H,19-20H2;1-14,21H,15-19H2;5-7,10-11,14-15,17,21H,3-4,8-9,12-13,16H2,1-2H3;7-9,12-13,15-16,21H,2-6,10-11,14,17H2,1H3;7-13,16,20H,3-6,14-15H2,1-2H3
InChIKeyHXBWQZCLHLAUID-UHFFFAOYSA-N
XLogP30.80
TPSA190.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002417.27
LogP ≤ 530.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide with MolForge

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Related Compounds

3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodobenzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(2-methylpropyl)benzamide
CID 159135995
3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159808543
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
CID 18733730
4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18733119
3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
CID 157230866
N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 18734372
N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
CID 18733445
N-benzyl-2-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide;N-benzyl-2-bromo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-benzyl-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 158694843
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluorobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-methylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;2-fluoro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159885764
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide?
The IUPAC name of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide (CID 158613202) is N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide.
What is the SMILES notation for N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide?
The canonical SMILES for N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide is CC(C)CCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(I)c1.CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(I)c1.O=C(c1cccc(F)c1)N(Cc1ccccc1)Cc1nc2ccccc2n1-c1ccccc1.O=C(c1ccccc1)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.
What is the InChIKey of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide?
The InChIKey is HXBWQZCLHLAUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O.C26H25N3O.2C25H29FIN3O.C24H27FIN3O/c29-23-13-9-12-22(18-23)28(33)31(19-21-10-3-1-4-11-21)20-27-30-25-16-7-8-17-26(25)32(27)24-14-5-2-6-15-24;30-26(22-11-5-2-6-12-22)28(17-20-9-3-1-4-10-20)19-25-27-23-13-7-8-14-24(23)29(25)18-21-15-16-21;1-17(2)12-13-29(25(31)18-6-5-7-20(27)14-18)16-24-28-22-15-19(26)10-11-23(22)30(24)21-8-3-4-9-21;1-2-3-6-14-29(25(31)18-8-7-9-20(27)15-18)17-24-28-22-16-19(26)12-13-23(22)30(24)21-10-4-5-11-21;1-16(2)14-28(24(30)17-7-10-19(26)11-8-17)15-23-27-21-13-18(25)9-12-22(21)29(23)20-5-3-4-6-20/h1-18H,19-20H2;1-14,21H,15-19H2;5-7,10-11,14-15,17,21H,3-4,8-9,12-13,16H2,1-2H3;7-9,12-13,15-16,21H,2-6,10-11,14,17H2,1H3;7-13,16,20H,3-6,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide?
N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide has a molecular weight of 2417.27 g/mol, XLogP of 30.80, 34 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide is sourced from PubChem (CID 158613202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).