N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide

C23H17FN4O — CID 155536361

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1F
InChIInChI=1S/C23H17FN4O/c24-20-11-18(8-9-19(20)12-25)23(29)26-13-16-4-3-5-17(10-16)14-28-15-27-21-6-1-2-7-22(21)28/h1-11,15H,13-14H2,(H,26,29)
InChIKeyIDOXXMJAAQMULN-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.03
Rot. Bonds5

About N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide (PubChem CID 155536361) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
PubChem CID155536361
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1F
InChIInChI=1S/C23H17FN4O/c24-20-11-18(8-9-19(20)12-25)23(29)26-13-16-4-3-5-17(10-16)14-28-15-27-21-6-1-2-7-22(21)28/h1-11,15H,13-14H2,(H,26,29)
InChIKeyIDOXXMJAAQMULN-UHFFFAOYSA-N
XLogP4.03
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 154859119
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122004444
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
CID 129369123
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87524252
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(oxolan-3-yl)urea
CID 126772299
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylbutan-2-yl)urea
CID 166218064
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
CID 95044599

Frequently Asked Questions

What is the IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide (CID 155536361) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide is N#Cc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1F.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
The InChIKey is IDOXXMJAAQMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-20-11-18(8-9-19(20)12-25)23(29)26-13-16-4-3-5-17(10-16)14-28-15-27-21-6-1-2-7-22(21)28/h1-11,15H,13-14H2,(H,26,29).
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide has a molecular weight of 384.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide is sourced from PubChem (CID 155536361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).