3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine

C16H20ClN3 — CID 63044205

IUPAC3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nc3cc(Cl)ccc3n2C2CC2)C1
InChIInChI=1S/C16H20ClN3/c17-11-4-7-15-14(9-11)19-16(20(15)13-5-6-13)10-2-1-3-12(18)8-10/h4,7,9-10,12-13H,1-3,5-6,8,18H2
InChIKeyIJGNRDDIKOUGBW-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.01
Rot. Bonds2

About 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 63044205) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID63044205
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nc3cc(Cl)ccc3n2C2CC2)C1
InChIInChI=1S/C16H20ClN3/c17-11-4-7-15-14(9-11)19-16(20(15)13-5-6-13)10-2-1-3-12(18)8-10/h4,7,9-10,12-13H,1-3,5-6,8,18H2
InChIKeyIJGNRDDIKOUGBW-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine (CID 63044205) is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine is NC1CCCC(c2nc3cc(Cl)ccc3n2C2CC2)C1.
What is the InChIKey of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is IJGNRDDIKOUGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-11-4-7-15-14(9-11)19-16(20(15)13-5-6-13)10-2-1-3-12(18)8-10/h4,7,9-10,12-13H,1-3,5-6,8,18H2.
What are the key properties of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63044205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).