4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine

C16H20ClN3 — CID 60808589

IUPAC4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3cc(Cl)ccc3n2C2CC2)CC1
InChIInChI=1S/C16H20ClN3/c17-11-3-8-15-14(9-11)19-16(20(15)13-6-7-13)10-1-4-12(18)5-2-10/h3,8-10,12-13H,1-2,4-7,18H2
InChIKeyTWZHDGFWZIUONC-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.01
Rot. Bonds2

About 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine

4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 60808589) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID60808589
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3cc(Cl)ccc3n2C2CC2)CC1
InChIInChI=1S/C16H20ClN3/c17-11-3-8-15-14(9-11)19-16(20(15)13-6-7-13)10-1-4-12(18)5-2-10/h3,8-10,12-13H,1-2,4-7,18H2
InChIKeyTWZHDGFWZIUONC-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

Analyze 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044205
3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
CID 115473273
cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
CID 106322605
5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
CID 63719848
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine
CID 63261925
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
3-chloro-4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 61399162
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine (CID 60808589) is 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine is NC1CCC(c2nc3cc(Cl)ccc3n2C2CC2)CC1.
What is the InChIKey of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is TWZHDGFWZIUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-11-3-8-15-14(9-11)19-16(20(15)13-6-7-13)10-1-4-12(18)5-2-10/h3,8-10,12-13H,1-2,4-7,18H2.
What are the key properties of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine?
4-(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 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 60808589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).