2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide

C9H12N4O — CID 20775187

IUPAC2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide
SMILESCC(Cc1cnc[nH]1)NC(=O)CC#N
InChIInChI=1S/C9H12N4O/c1-7(13-9(14)2-3-10)4-8-5-11-6-12-8/h5-7H,2,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyAAZHRZYXKKHASP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.37
Rot. Bonds4

About 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide

2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide (PubChem CID 20775187) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide
PubChem CID20775187
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide
SMILESCC(Cc1cnc[nH]1)NC(=O)CC#N
InChIInChI=1S/C9H12N4O/c1-7(13-9(14)2-3-10)4-8-5-11-6-12-8/h5-7H,2,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyAAZHRZYXKKHASP-UHFFFAOYSA-N
XLogP0.37
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide 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

(2S)-2-[(2-cyanoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 11379048
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
(2S)-2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 54503753
CID 59432002
CID 59432002
2-cyano-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 104696948
(2R)-3-(1H-imidazol-5-yl)-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 103870385
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 70890007
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
methyl (2S)-2-(cyanomethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoate
CID 114011823
(2S)-3-(1H-imidazol-5-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096138
4-(1H-imidazol-5-yl)-3-(iodoamino)butan-2-one
CID 152954292
(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
CID 92523863

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide (CID 20775187) is 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide is CC(Cc1cnc[nH]1)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide?
The InChIKey is AAZHRZYXKKHASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7(13-9(14)2-3-10)4-8-5-11-6-12-8/h5-7H,2,4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide?
2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide has a molecular weight of 192.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(1H-imidazol-5-yl)propan-2-yl]acetamide is sourced from PubChem (CID 20775187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).