3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

C25H24FN3O — CID 18733019

IUPAC3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C25H24FN3O/c1-3-15-28(25(30)19-14-13-18(2)21(26)16-19)17-24-27-22-11-7-8-12-23(22)29(24)20-9-5-4-6-10-20/h4-14,16H,3,15,17H2,1-2H3
InChIKeyRLRSSTRBXMJAGZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.53
Rot. Bonds6

About 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide

3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (PubChem CID 18733019) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
PubChem CID18733019
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C25H24FN3O/c1-3-15-28(25(30)19-14-13-18(2)21(26)16-19)17-24-27-22-11-7-8-12-23(22)29(24)20-9-5-4-6-10-20/h4-14,16H,3,15,17H2,1-2H3
InChIKeyRLRSSTRBXMJAGZ-UHFFFAOYSA-N
XLogP5.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70015882
2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732504
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
CID 70012357
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
N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 18734660
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one
CID 142019902
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
CID 18733832
N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide
CID 20800941

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide (CID 18733019) is 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is CCCN(Cc1nc2ccccc2n1-c1ccccc1)C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
The InChIKey is RLRSSTRBXMJAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-3-15-28(25(30)19-14-13-18(2)21(26)16-19)17-24-27-22-11-7-8-12-23(22)29(24)20-9-5-4-6-10-20/h4-14,16H,3,15,17H2,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide?
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide has a molecular weight of 401.49 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 18733019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).