2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine

C15H20ClN3 — CID 115473342

IUPAC2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-2-10(9-17)7-15-18-13-6-3-11(16)8-14(13)19(15)12-4-5-12/h3,6,8,10,12H,2,4-5,7,9,17H2,1H3
InChIKeyNLMPLVVGHNJLAS-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.55
Rot. Bonds5

About 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine

2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 115473342) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
PubChem CID115473342
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C15H20ClN3/c1-2-10(9-17)7-15-18-13-6-3-11(16)8-14(13)19(15)12-4-5-12/h3,6,8,10,12H,2,4-5,7,9,17H2,1H3
InChIKeyNLMPLVVGHNJLAS-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine (CID 115473342) is 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine is CCC(CN)Cc1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is NLMPLVVGHNJLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-10(9-17)7-15-18-13-6-3-11(16)8-14(13)19(15)12-4-5-12/h3,6,8,10,12H,2,4-5,7,9,17H2,1H3.
What are the key properties of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine?
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 115473342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).