2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide

C23H29N3O — CID 16969021

IUPAC2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C23H29N3O/c1-5-18(6-2)23(27)24-17(4)22-25-20-13-9-10-14-21(20)26(22)15-19-12-8-7-11-16(19)3/h7-14,17-18H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyVJHYWHLEQIISGQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.01
Rot. Bonds7

About 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide

2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16969021) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16969021
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C23H29N3O/c1-5-18(6-2)23(27)24-17(4)22-25-20-13-9-10-14-21(20)26(22)15-19-12-8-7-11-16(19)3/h7-14,17-18H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyVJHYWHLEQIISGQ-UHFFFAOYSA-N
XLogP5.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969053
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967499
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973188

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide (CID 16969021) is 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide is CCC(CC)C(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1C.
What is the InChIKey of 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is VJHYWHLEQIISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-5-18(6-2)23(27)24-17(4)22-25-20-13-9-10-14-21(20)26(22)15-19-12-8-7-11-16(19)3/h7-14,17-18H,5-6,15H2,1-4H3,(H,24,27).
What are the key properties of 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 363.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16969021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).