N-(1H-imidazol-2-yl)-2-methylpentanamide

C9H15N3O — CID 63563508

IUPACN-(1H-imidazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)8(13)12-9-10-5-6-11-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyRRNCRBFNACUBFE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.78
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-methylpentanamide

N-(1H-imidazol-2-yl)-2-methylpentanamide (PubChem CID 63563508) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-methylpentanamide
PubChem CID63563508
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(1H-imidazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H15N3O/c1-3-4-7(2)8(13)12-9-10-5-6-11-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyRRNCRBFNACUBFE-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 72947091
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N-(1H-Imidazol-2-yl)acetamide
CID 557800
N-(1H-imidazol-5-yl)propanamide
CID 23063498
2-pentan-2-yl-1H-imidazole
CID 53640454
N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 126793994
2-Ethyl-N-(3-(1H-imidazol-1-yl)propyl)hexanamide
CID 3023068
4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide
CID 175864489
N'-(1H-imidazol-2-yl)-N-methylhexadecanediamide
CID 176433368
4,4,4-trifluoro-N-(1H-imidazol-2-yl)butanamide
CID 65711782
N-(1H-imidazol-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
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4,4-difluoro-N-(1H-imidazol-2-yl)cyclohexane-1-carboxamide
CID 81932910

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-methylpentanamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-methylpentanamide (CID 63563508) is N-(1H-imidazol-2-yl)-2-methylpentanamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-methylpentanamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-methylpentanamide?
The InChIKey is RRNCRBFNACUBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-7(2)8(13)12-9-10-5-6-11-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of N-(1H-imidazol-2-yl)-2-methylpentanamide?
N-(1H-imidazol-2-yl)-2-methylpentanamide has a molecular weight of 181.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-methylpentanamide is sourced from PubChem (CID 63563508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).