N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide

C21H16ClN3O — CID 1111773

IUPACN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H16ClN3O/c22-17-12-10-15(11-13-17)14-25-19-9-5-4-8-18(19)23-21(25)24-20(26)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24,26)
InChIKeyJPANQFIORHJURS-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.99
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide

N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide (PubChem CID 1111773) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
PubChem CID1111773
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H16ClN3O/c22-17-12-10-15(11-13-17)14-25-19-9-5-4-8-18(19)23-21(25)24-20(26)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24,26)
InChIKeyJPANQFIORHJURS-UHFFFAOYSA-N
XLogP4.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
CID 19577208
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide (CID 1111773) is N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide?
The InChIKey is JPANQFIORHJURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-17-12-10-15(11-13-17)14-25-19-9-5-4-8-18(19)23-21(25)24-20(26)16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide?
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide has a molecular weight of 361.83 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 1111773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).