2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide

C16H22N4O — CID 119738614

IUPAC2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1nccn1Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-12(2)14(17)15(21)19-16-18-9-10-20(16)11-13-7-5-4-6-8-13/h4-10,12,14H,3,11,17H2,1-2H3,(H,18,19,21)
InChIKeyCHCYBJDKNTWHPI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide

2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide (PubChem CID 119738614) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide
PubChem CID119738614
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1nccn1Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-12(2)14(17)15(21)19-16-18-9-10-20(16)11-13-7-5-4-6-8-13/h4-10,12,14H,3,11,17H2,1-2H3,(H,18,19,21)
InChIKeyCHCYBJDKNTWHPI-UHFFFAOYSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(1-benzylimidazol-2-yl)cyclopropane-1-carboxamide
CID 119738584
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94820641
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 51089674
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
2-amino-N-(1-ethylimidazol-2-yl)butanamide
CID 131165493
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide (CID 119738614) is 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1nccn1Cc1ccccc1.
What is the InChIKey of 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide?
The InChIKey is CHCYBJDKNTWHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12(2)14(17)15(21)19-16-18-9-10-20(16)11-13-7-5-4-6-8-13/h4-10,12,14H,3,11,17H2,1-2H3,(H,18,19,21).
What are the key properties of 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide?
2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide is sourced from PubChem (CID 119738614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).