1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine

C16H22ClN3 — CID 61292381

IUPAC1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCn1c(C2(N)CCC(C)CC2)nc2cccc(Cl)c21
InChIInChI=1S/C16H22ClN3/c1-3-20-14-12(17)5-4-6-13(14)19-15(20)16(18)9-7-11(2)8-10-16/h4-6,11H,3,7-10,18H2,1-2H3
InChIKeyGDTUVQSHWDBQCE-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.07
Rot. Bonds2

About 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine

1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 61292381) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID61292381
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCn1c(C2(N)CCC(C)CC2)nc2cccc(Cl)c21
InChIInChI=1S/C16H22ClN3/c1-3-20-14-12(17)5-4-6-13(14)19-15(20)16(18)9-7-11(2)8-10-16/h4-6,11H,3,7-10,18H2,1-2H3
InChIKeyGDTUVQSHWDBQCE-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.07
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-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine (CID 61292381) is 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine is CCn1c(C2(N)CCC(C)CC2)nc2cccc(Cl)c21.
What is the InChIKey of 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is GDTUVQSHWDBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-20-14-12(17)5-4-6-13(14)19-15(20)16(18)9-7-11(2)8-10-16/h4-6,11H,3,7-10,18H2,1-2H3.
What are the key properties of 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine?
1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-ethylbenzimidazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 61292381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).