2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine

C15H19ClN4 — CID 15158198

IUPAC2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine
SMILESNn1cc(-c2ccc(Cl)cc2)nc1N1CCCCCC1
InChIInChI=1S/C15H19ClN4/c16-13-7-5-12(6-8-13)14-11-20(17)15(18-14)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10,17H2
InChIKeyWVTLAHJNVSYWFT-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.30
Rot. Bonds2

About 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine

2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine (PubChem CID 15158198) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine
PubChem CID15158198
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine
SMILESNn1cc(-c2ccc(Cl)cc2)nc1N1CCCCCC1
InChIInChI=1S/C15H19ClN4/c16-13-7-5-12(6-8-13)14-11-20(17)15(18-14)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10,17H2
InChIKeyWVTLAHJNVSYWFT-UHFFFAOYSA-N
XLogP3.30
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine?
The IUPAC name of 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine (CID 15158198) is 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine is Nn1cc(-c2ccc(Cl)cc2)nc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine?
The InChIKey is WVTLAHJNVSYWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c16-13-7-5-12(6-8-13)14-11-20(17)15(18-14)19-9-3-1-2-4-10-19/h5-8,11H,1-4,9-10,17H2.
What are the key properties of 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine?
2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine has a molecular weight of 290.80 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine is sourced from PubChem (CID 15158198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).