(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine

C16H22ClN3 — CID 61015427

IUPAC(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
SMILESCCn1c(C(N)C2CCCCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H22ClN3/c1-2-20-14-9-8-12(17)10-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h8-11,15H,2-7,18H2,1H3
InChIKeyUMYNWUVWUKDHTN-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.29
Rot. Bonds3

About (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine

(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine (PubChem CID 61015427) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
PubChem CID61015427
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
SMILESCCn1c(C(N)C2CCCCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H22ClN3/c1-2-20-14-9-8-12(17)10-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h8-11,15H,2-7,18H2,1H3
InChIKeyUMYNWUVWUKDHTN-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine?
The IUPAC name of (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine (CID 61015427) is (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine.
What is the SMILES notation for (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine?
The canonical SMILES for (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine is CCn1c(C(N)C2CCCCC2)nc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine?
The InChIKey is UMYNWUVWUKDHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-2-20-14-9-8-12(17)10-13(14)19-16(20)15(18)11-6-4-3-5-7-11/h8-11,15H,2-7,18H2,1H3.
What are the key properties of (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine?
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine has a molecular weight of 291.83 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine is sourced from PubChem (CID 61015427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).