2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide

C13H22N4O — CID 71984266

IUPAC2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncc[nH]1)N1CCCCCC1
InChIInChI=1S/C13H22N4O/c1-11(17-8-4-2-3-5-9-17)13(18)16-10-12-14-6-7-15-12/h6-7,11H,2-5,8-10H2,1H3,(H,14,15)(H,16,18)
InChIKeyCBCBLJNQLGJSTP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.29
Rot. Bonds4

About 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide

2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide (PubChem CID 71984266) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide
PubChem CID71984266
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ncc[nH]1)N1CCCCCC1
InChIInChI=1S/C13H22N4O/c1-11(17-8-4-2-3-5-9-17)13(18)16-10-12-14-6-7-15-12/h6-7,11H,2-5,8-10H2,1H3,(H,14,15)(H,16,18)
InChIKeyCBCBLJNQLGJSTP-UHFFFAOYSA-N
XLogP1.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide 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

4-(1H-imidazol-2-ylmethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498569
3-chloro-N-(1H-imidazol-2-ylmethyl)-2-methylpropanamide
CID 64532215
2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
CID 115608297
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
(2R)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-piperidin-1-ylpropanamide
CID 126425443
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531064
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide (CID 71984266) is 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide is CC(C(=O)NCc1ncc[nH]1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The InChIKey is CBCBLJNQLGJSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(17-8-4-2-3-5-9-17)13(18)16-10-12-14-6-7-15-12/h6-7,11H,2-5,8-10H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide?
2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 71984266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).