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

C129H122Br4IN15O5 — CID 158694843

IUPACN-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
SMILESCCCn1c(CN(Cc2ccccc2)C(=O)c2cccc(I)c2)nc2ccccc21.CCCn1c(CN(Cc2ccccc2)C(=O)c2ccccc2Br)nc2ccccc21.Cc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1Br.O=C(c1cccc(Br)c1)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.O=C(c1ccccc1Br)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1
InChIInChI=1S/C27H26BrN3O.2C26H24BrN3O.C25H24BrN3O.C25H24IN3O/c1-19-11-14-22(15-23(19)28)27(32)30(16-20-7-3-2-4-8-20)18-26-29-24-9-5-6-10-25(24)31(26)17-21-12-13-21;27-22-11-5-4-10-21(22)26(31)29(16-19-8-2-1-3-9-19)18-25-28-23-12-6-7-13-24(23)30(25)17-20-14-15-20;27-22-10-6-9-21(15-22)26(31)29(16-19-7-2-1-3-8-19)18-25-28-23-11-4-5-12-24(23)30(25)17-20-13-14-20;1-2-16-29-23-15-9-8-14-22(23)27-24(29)18-28(17-19-10-4-3-5-11-19)25(30)20-12-6-7-13-21(20)26;1-2-15-29-23-14-7-6-13-22(23)27-24(29)18-28(17-19-9-4-3-5-10-19)25(30)20-11-8-12-21(26)16-20/h2-11,14-15,21H,12-13,16-18H2,1H3;1-13,20H,14-18H2;1-12,15,20H,13-14,16-18H2;3-15H,2,16-18H2,1H3;3-14,16H,2,15,17-18H2,1H3
InChIKeyIGUQZFBCXVXNOO-UHFFFAOYSA-N
MW2409.01 g/mol
LogP30.41
Rot. Bonds35

About 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

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 (PubChem CID 158694843) has the molecular formula C129H122Br4IN15O5 and a molecular weight of 2409.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID158694843
Molecular FormulaC129H122Br4IN15O5
Molecular Weight2409.01 g/mol
Exact Mass2403.55
IUPAC NameN-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
SMILESCCCn1c(CN(Cc2ccccc2)C(=O)c2cccc(I)c2)nc2ccccc21.CCCn1c(CN(Cc2ccccc2)C(=O)c2ccccc2Br)nc2ccccc21.Cc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1Br.O=C(c1cccc(Br)c1)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.O=C(c1ccccc1Br)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1
InChIInChI=1S/C27H26BrN3O.2C26H24BrN3O.C25H24BrN3O.C25H24IN3O/c1-19-11-14-22(15-23(19)28)27(32)30(16-20-7-3-2-4-8-20)18-26-29-24-9-5-6-10-25(24)31(26)17-21-12-13-21;27-22-11-5-4-10-21(22)26(31)29(16-19-8-2-1-3-9-19)18-25-28-23-12-6-7-13-24(23)30(25)17-20-14-15-20;27-22-10-6-9-21(15-22)26(31)29(16-19-7-2-1-3-8-19)18-25-28-23-11-4-5-12-24(23)30(25)17-20-13-14-20;1-2-16-29-23-15-9-8-14-22(23)27-24(29)18-28(17-19-10-4-3-5-11-19)25(30)20-12-6-7-13-21(20)26;1-2-15-29-23-14-7-6-13-22(23)27-24(29)18-28(17-19-9-4-3-5-10-19)25(30)20-11-8-12-21(26)16-20/h2-11,14-15,21H,12-13,16-18H2,1H3;1-13,20H,14-18H2;1-12,15,20H,13-14,16-18H2;3-15H,2,16-18H2,1H3;3-14,16H,2,15,17-18H2,1H3
InChIKeyIGUQZFBCXVXNOO-UHFFFAOYSA-N
XLogP30.41
TPSA190.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002409.01
LogP ≤ 530.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 18734372
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18732892
N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide
CID 18733508
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide
CID 18733805
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
3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide
CID 18734222
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732852
3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732890
3-iodo-N-prop-2-enyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 18734268

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCn1c(CN(Cc2ccccc2)C(=O)c2cccc(I)c2)nc2ccccc21.CCCn1c(CN(Cc2ccccc2)C(=O)c2ccccc2Br)nc2ccccc21.Cc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1Br.O=C(c1cccc(Br)c1)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.O=C(c1ccccc1Br)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.
What is the InChIKey of 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?
The InChIKey is IGUQZFBCXVXNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3O.2C26H24BrN3O.C25H24BrN3O.C25H24IN3O/c1-19-11-14-22(15-23(19)28)27(32)30(16-20-7-3-2-4-8-20)18-26-29-24-9-5-6-10-25(24)31(26)17-21-12-13-21;27-22-11-5-4-10-21(22)26(31)29(16-19-8-2-1-3-9-19)18-25-28-23-12-6-7-13-24(23)30(25)17-20-14-15-20;27-22-10-6-9-21(15-22)26(31)29(16-19-7-2-1-3-8-19)18-25-28-23-11-4-5-12-24(23)30(25)17-20-13-14-20;1-2-16-29-23-15-9-8-14-22(23)27-24(29)18-28(17-19-10-4-3-5-11-19)25(30)20-12-6-7-13-21(20)26;1-2-15-29-23-14-7-6-13-22(23)27-24(29)18-28(17-19-9-4-3-5-10-19)25(30)20-11-8-12-21(26)16-20/h2-11,14-15,21H,12-13,16-18H2,1H3;1-13,20H,14-18H2;1-12,15,20H,13-14,16-18H2;3-15H,2,16-18H2,1H3;3-14,16H,2,15,17-18H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2409.01 g/mol, XLogP of 30.41, 35 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158694843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).