2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide

C19H21N3O — CID 110773124

IUPAC2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C19H21N3O/c1-13-4-6-15(7-5-13)12-20-19(23)11-16-8-9-18-17(10-16)21-14(2)22(18)3/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyAVDSTWKUZDNMPZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds4

About 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 110773124) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID110773124
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C19H21N3O/c1-13-4-6-15(7-5-13)12-20-19(23)11-16-8-9-18-17(10-16)21-14(2)22(18)3/h4-10H,11-12H2,1-3H3,(H,20,23)
InChIKeyAVDSTWKUZDNMPZ-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 110794762
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 110773124) is 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2ccc3c(c2)nc(C)n3C)cc1.
What is the InChIKey of 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is AVDSTWKUZDNMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-4-6-15(7-5-13)12-20-19(23)11-16-8-9-18-17(10-16)21-14(2)22(18)3/h4-10H,11-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110773124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).