N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide

C15H21N3O — CID 47100277

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
SMILESCCCC(=O)NC(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C15H21N3O/c1-4-7-13(19)18-14(10(2)3)15-16-11-8-5-6-9-12(11)17-15/h5-6,8-10,14H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWDBAQOMQOPHETD-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide (PubChem CID 47100277) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
PubChem CID47100277
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
SMILESCCCC(=O)NC(c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C15H21N3O/c1-4-7-13(19)18-14(10(2)3)15-16-11-8-5-6-9-12(11)17-15/h5-6,8-10,14H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWDBAQOMQOPHETD-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]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

3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-pyrazol-1-ylbutanamide
CID 71827916
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55344683
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7998445
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-fluorophenoxy)butanamide
CID 60550031

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide (CID 47100277) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide is CCCC(=O)NC(c1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide?
The InChIKey is WDBAQOMQOPHETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-7-13(19)18-14(10(2)3)15-16-11-8-5-6-9-12(11)17-15/h5-6,8-10,14H,4,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide has a molecular weight of 259.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide is sourced from PubChem (CID 47100277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).