2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine

C16H22ClN3 — CID 46309386

IUPAC2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H22ClN3/c1-3-19(4-2)9-10-20-15-8-7-13(17)11-14(15)18-16(20)12-5-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyCVBKMSUTMZGEJM-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.91
Rot. Bonds6

About 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine

2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine (PubChem CID 46309386) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
PubChem CID46309386
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H22ClN3/c1-3-19(4-2)9-10-20-15-8-7-13(17)11-14(15)18-16(20)12-5-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyCVBKMSUTMZGEJM-UHFFFAOYSA-N
XLogP3.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309377
N-butyl-N-[3-(6-chloro-2-cyclopropylbenzimidazol-1-yl)propyl]butan-1-amine
CID 46309665
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309439
3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308794
N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine
CID 46309726
6-chloro-2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole
CID 46308708
1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone
CID 159419919
3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308852
5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
CID 106742782
3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308838

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine (CID 46309386) is 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine is CCN(CC)CCn1c(C2CC2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine?
The InChIKey is CVBKMSUTMZGEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-19(4-2)9-10-20-15-8-7-13(17)11-14(15)18-16(20)12-5-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine?
2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine is sourced from PubChem (CID 46309386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).