[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine

C13H18ClN3 — CID 82332532

IUPAC[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
SMILESCC(C)CCn1c(CN)nc2cc(Cl)ccc21
InChIInChI=1S/C13H18ClN3/c1-9(2)5-6-17-12-4-3-10(14)7-11(12)16-13(17)8-15/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyJZANFOVTONKMNW-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.19
Rot. Bonds4

About [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine

[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine (PubChem CID 82332532) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
PubChem CID82332532
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
SMILESCC(C)CCn1c(CN)nc2cc(Cl)ccc21
InChIInChI=1S/C13H18ClN3/c1-9(2)5-6-17-12-4-3-10(14)7-11(12)16-13(17)8-15/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyJZANFOVTONKMNW-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]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

4-[2-(aminomethyl)-5-chlorobenzimidazol-1-yl]butan-2-one
CID 82332544
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
2-[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetic acid
CID 43659624
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334160
5-chloro-2-(chloromethyl)-6-fluoro-1-(3-methylbutyl)benzimidazole
CID 66109616
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine?
The IUPAC name of [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine (CID 82332532) is [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine is CC(C)CCn1c(CN)nc2cc(Cl)ccc21.
What is the InChIKey of [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine?
The InChIKey is JZANFOVTONKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9(2)5-6-17-12-4-3-10(14)7-11(12)16-13(17)8-15/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine?
[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine has a molecular weight of 251.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82332532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).