3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

C23H20ClN3O — CID 17008255

IUPAC3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(Cn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H20ClN3O/c1-16-9-11-17(12-10-16)15-27-21-8-3-2-7-20(21)26-22(27)14-25-23(28)18-5-4-6-19(24)13-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyGVRUUDWOSSKSLF-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.98
Rot. Bonds5

About 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008255) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008255
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1ccc(Cn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H20ClN3O/c1-16-9-11-17(12-10-16)15-27-21-8-3-2-7-20(21)26-22(27)14-25-23(28)18-5-4-6-19(24)13-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyGVRUUDWOSSKSLF-UHFFFAOYSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008237
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008347
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990438

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17008255) is 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is Cc1ccc(Cn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is GVRUUDWOSSKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16-9-11-17(12-10-16)15-27-21-8-3-2-7-20(21)26-22(27)14-25-23(28)18-5-4-6-19(24)13-18/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 389.89 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).