2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide

C24H31N3O — CID 17006384

IUPAC2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C24H31N3O/c1-5-19(6-2)24(28)25-15-23-26-21-9-7-8-10-22(21)27(23)16-18-11-13-20(14-12-18)17(3)4/h7-14,17,19H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyHPWBGTZQVSATMO-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.26
Rot. Bonds8

About 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide

2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide (PubChem CID 17006384) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
PubChem CID17006384
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C24H31N3O/c1-5-19(6-2)24(28)25-15-23-26-21-9-7-8-10-22(21)27(23)16-18-11-13-20(14-12-18)17(3)4/h7-14,17,19H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyHPWBGTZQVSATMO-UHFFFAOYSA-N
XLogP5.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
CID 17006351
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007602
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006414

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide (CID 17006384) is 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide is CCC(CC)C(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
The InChIKey is HPWBGTZQVSATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-5-19(6-2)24(28)25-15-23-26-21-9-7-8-10-22(21)27(23)16-18-11-13-20(14-12-18)17(3)4/h7-14,17,19H,5-6,15-16H2,1-4H3,(H,25,28).
What are the key properties of 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide?
2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide has a molecular weight of 377.53 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 17006384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).