1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine

C13H14ClN3 — CID 106554477

IUPAC1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(Cn2ccnc2NC2CC2)cc1
InChIInChI=1S/C13H14ClN3/c14-11-3-1-10(2-4-11)9-17-8-7-15-13(17)16-12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,15,16)
InChIKeyCKCPOAWARJZSOU-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.16
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine

1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine (PubChem CID 106554477) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine
PubChem CID106554477
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(Cn2ccnc2NC2CC2)cc1
InChIInChI=1S/C13H14ClN3/c14-11-3-1-10(2-4-11)9-17-8-7-15-13(17)16-12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,15,16)
InChIKeyCKCPOAWARJZSOU-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106568112
N-cyclopentyl-1-[(6-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106571990
N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571939
N-cyclopentyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
CID 106563131
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-cyclohexyl-1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106572805
N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566105
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
N-cyclopropyl-1-(2-methylbutyl)imidazol-2-amine
CID 106570372
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
CID 57420134

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine (CID 106554477) is 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine is Clc1ccc(Cn2ccnc2NC2CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
The InChIKey is CKCPOAWARJZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-3-1-10(2-4-11)9-17-8-7-15-13(17)16-12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,15,16).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine?
1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-cyclopropylimidazol-2-amine is sourced from PubChem (CID 106554477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).