2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine

C15H22ClN3 — CID 62853512

IUPAC2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine
SMILESCCCn1c(C(C)CNCC)nc2cccc(Cl)c21
InChIInChI=1S/C15H22ClN3/c1-4-9-19-14-12(16)7-6-8-13(14)18-15(19)11(3)10-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyBVYAMOHOYJKNQL-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.81
Rot. Bonds6

About 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine

2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine (PubChem CID 62853512) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine
PubChem CID62853512
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine
SMILESCCCn1c(C(C)CNCC)nc2cccc(Cl)c21
InChIInChI=1S/C15H22ClN3/c1-4-9-19-14-12(16)7-6-8-13(14)18-15(19)11(3)10-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyBVYAMOHOYJKNQL-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-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

2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853148
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 55123252
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
CID 94958065
N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine
CID 62852788
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 97179650
7-chloro-2-(1-chloroethyl)-1-(3-propoxypropyl)benzimidazole
CID 82944116
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine (CID 62853512) is 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine is CCCn1c(C(C)CNCC)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
The InChIKey is BVYAMOHOYJKNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-4-9-19-14-12(16)7-6-8-13(14)18-15(19)11(3)10-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine?
2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62853512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).