4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide

C22H19N3O3 — CID 17434692

IUPAC4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-20-12-9-16(13-21(20)28-2)24-22(26)15-7-10-17(11-8-15)25-14-23-18-5-3-4-6-19(18)25/h3-14H,1-2H3,(H,24,26)
InChIKeyJLBCLEMTQHSCJB-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.30
Rot. Bonds5

About 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide

4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide (PubChem CID 17434692) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
PubChem CID17434692
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-20-12-9-16(13-21(20)28-2)24-22(26)15-7-10-17(11-8-15)25-14-23-18-5-3-4-6-19(18)25/h3-14H,1-2H3,(H,24,26)
InChIKeyJLBCLEMTQHSCJB-UHFFFAOYSA-N
XLogP4.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 55692127
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18111635
N-[4-(benzimidazol-1-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55575206
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
CID 1077763
4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 17426076

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide (CID 17434692) is 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide?
The InChIKey is JLBCLEMTQHSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-20-12-9-16(13-21(20)28-2)24-22(26)15-7-10-17(11-8-15)25-14-23-18-5-3-4-6-19(18)25/h3-14H,1-2H3,(H,24,26).
What are the key properties of 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide?
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide has a molecular weight of 373.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 17434692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).