N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide

C27H26FN3O — CID 18734372

IUPACN-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1F
InChIInChI=1S/C27H26FN3O/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/h2-11,14-15,21H,12-13,16-18H2,1H3
InChIKeyGQZPUONGORKJSX-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.74
Rot. Bonds7

About N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide

N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide (PubChem CID 18734372) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide
PubChem CID18734372
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC NameN-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1F
InChIInChI=1S/C27H26FN3O/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/h2-11,14-15,21H,12-13,16-18H2,1H3
InChIKeyGQZPUONGORKJSX-UHFFFAOYSA-N
XLogP5.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide
CID 18733508
3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide
CID 18734222
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
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide
CID 18733805
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
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-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
CID 18733799
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide (CID 18734372) is N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1F.
What is the InChIKey of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is GQZPUONGORKJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O/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/h2-11,14-15,21H,12-13,16-18H2,1H3.
What are the key properties of N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide?
N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 427.52 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 18734372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).