[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

C16H22ClN3 — CID 81162135

IUPAC[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCCCn1c(CC2(CN)CCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H22ClN3/c1-2-8-20-14-5-4-12(17)9-13(14)19-15(20)10-16(11-18)6-3-7-16/h4-5,9H,2-3,6-8,10-11,18H2,1H3
InChIKeyZHYJICYGFAIOFW-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.77
Rot. Bonds5

About [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 81162135) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
PubChem CID81162135
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCCCn1c(CC2(CN)CCC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H22ClN3/c1-2-8-20-14-5-4-12(17)9-13(14)19-15(20)10-16(11-18)6-3-7-16/h4-5,9H,2-3,6-8,10-11,18H2,1H3
InChIKeyZHYJICYGFAIOFW-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine 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

5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161695
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
CID 82332532
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
1-(6-chloro-1-propylbenzimidazol-2-yl)cyclobutan-1-amine
CID 113316624
[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 113312218
3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79873183
5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (CID 81162135) is [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is CCCn1c(CC2(CN)CCC2)nc2cc(Cl)ccc21.
What is the InChIKey of [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is ZHYJICYGFAIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-2-8-20-14-5-4-12(17)9-13(14)19-15(20)10-16(11-18)6-3-7-16/h4-5,9H,2-3,6-8,10-11,18H2,1H3.
What are the key properties of [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
[1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 291.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81162135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).