N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

C15H22ClN3 — CID 115472958

IUPACN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCCn1c(CNCC(C)C)nc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClN3/c1-4-7-19-14-8-12(16)5-6-13(14)18-15(19)10-17-9-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3
InChIKeyJEBWXAHSAUZAOG-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.85
Rot. Bonds6

About N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 115472958) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID115472958
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCCn1c(CNCC(C)C)nc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClN3/c1-4-7-19-14-8-12(16)5-6-13(14)18-15(19)10-17-9-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3
InChIKeyJEBWXAHSAUZAOG-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-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 N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (CID 115472958) is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is CCCn1c(CNCC(C)C)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is JEBWXAHSAUZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-4-7-19-14-8-12(16)5-6-13(14)18-15(19)10-17-9-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3.
What are the key properties of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115472958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).