2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide

C17H17N3O — CID 116622514

IUPAC2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide
SMILESCCc1nc2ccccc2n1Cc1ccccc1C(N)=O
InChIInChI=1S/C17H17N3O/c1-2-16-19-14-9-5-6-10-15(14)20(16)11-12-7-3-4-8-13(12)17(18)21/h3-10H,2,11H2,1H3,(H2,18,21)
InChIKeyXHBLHAFTZQEFQY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.75
Rot. Bonds4

About 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide

2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide (PubChem CID 116622514) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide
PubChem CID116622514
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide
SMILESCCc1nc2ccccc2n1Cc1ccccc1C(N)=O
InChIInChI=1S/C17H17N3O/c1-2-16-19-14-9-5-6-10-15(14)20(16)11-12-7-3-4-8-13(12)17(18)21/h3-10H,2,11H2,1H3,(H2,18,21)
InChIKeyXHBLHAFTZQEFQY-UHFFFAOYSA-N
XLogP2.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63107308
2-[(2-ethyl-5,6-dimethylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148235
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784668
4-[(2-ethylbenzimidazol-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973965
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 55177426

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide?
The IUPAC name of 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide (CID 116622514) is 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide is CCc1nc2ccccc2n1Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide?
The InChIKey is XHBLHAFTZQEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-16-19-14-9-5-6-10-15(14)20(16)11-12-7-3-4-8-13(12)17(18)21/h3-10H,2,11H2,1H3,(H2,18,21).
What are the key properties of 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide?
2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylbenzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 116622514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).