N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide

C21H15F2N3O — CID 19577208

IUPACN-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
SMILESO=C(Nc1nc2ccccc2n1Cc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C21H15F2N3O/c22-16-10-6-9-15(19(16)23)20(27)25-21-24-17-11-4-5-12-18(17)26(21)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,27)
InChIKeyOMYVEALDMQCOJM-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.62
Rot. Bonds4

About N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide

N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide (PubChem CID 19577208) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
PubChem CID19577208
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
SMILESO=C(Nc1nc2ccccc2n1Cc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C21H15F2N3O/c22-16-10-6-9-15(19(16)23)20(27)25-21-24-17-11-4-5-12-18(17)26(21)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,27)
InChIKeyOMYVEALDMQCOJM-UHFFFAOYSA-N
XLogP4.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide (CID 19577208) is N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide is O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1cccc(F)c1F.
What is the InChIKey of N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide?
The InChIKey is OMYVEALDMQCOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c22-16-10-6-9-15(19(16)23)20(27)25-21-24-17-11-4-5-12-18(17)26(21)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,27).
What are the key properties of N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide?
N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide has a molecular weight of 363.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 19577208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).