N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C16H18N4O — CID 112527544

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc3c(c2)nc(C)n3C)c[nH]1
InChIInChI=1S/C16H18N4O/c1-10-6-12(9-17-10)7-16(21)19-13-4-5-15-14(8-13)18-11(2)20(15)3/h4-6,8-9,17H,7H2,1-3H3,(H,19,21)
InChIKeyCBLGTSXYQCTYRG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.70
Rot. Bonds3

About N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112527544) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112527544
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc3c(c2)nc(C)n3C)c[nH]1
InChIInChI=1S/C16H18N4O/c1-10-6-12(9-17-10)7-16(21)19-13-4-5-15-14(8-13)18-11(2)20(15)3/h4-6,8-9,17H,7H2,1-3H3,(H,19,21)
InChIKeyCBLGTSXYQCTYRG-UHFFFAOYSA-N
XLogP2.70
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773200
2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110773214
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112527544) is N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is Cc1cc(CC(=O)Nc2ccc3c(c2)nc(C)n3C)c[nH]1.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is CBLGTSXYQCTYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-6-12(9-17-10)7-16(21)19-13-4-5-15-14(8-13)18-11(2)20(15)3/h4-6,8-9,17H,7H2,1-3H3,(H,19,21).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 282.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112527544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).