1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine

C17H24ClN3 — CID 61290902

IUPAC1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine
SMILESCCCn1c(C2(N)CCCC(C)C2)nc2cccc(Cl)c21
InChIInChI=1S/C17H24ClN3/c1-3-10-21-15-13(18)7-4-8-14(15)20-16(21)17(19)9-5-6-12(2)11-17/h4,7-8,12H,3,5-6,9-11,19H2,1-2H3
InChIKeyICUTZSHJHNHTNO-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.46
Rot. Bonds3

About 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine

1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine (PubChem CID 61290902) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine
PubChem CID61290902
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine
SMILESCCCn1c(C2(N)CCCC(C)C2)nc2cccc(Cl)c21
InChIInChI=1S/C17H24ClN3/c1-3-10-21-15-13(18)7-4-8-14(15)20-16(21)17(19)9-5-6-12(2)11-17/h4,7-8,12H,3,5-6,9-11,19H2,1-2H3
InChIKeyICUTZSHJHNHTNO-UHFFFAOYSA-N
XLogP4.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine (CID 61290902) is 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine is CCCn1c(C2(N)CCCC(C)C2)nc2cccc(Cl)c21.
What is the InChIKey of 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
The InChIKey is ICUTZSHJHNHTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-10-21-15-13(18)7-4-8-14(15)20-16(21)17(19)9-5-6-12(2)11-17/h4,7-8,12H,3,5-6,9-11,19H2,1-2H3.
What are the key properties of 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-propylbenzimidazol-2-yl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 61290902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).