2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile

C14H17ClN4 — CID 82311164

IUPAC2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile
SMILESCCN(CC)Cc1nc2cc(Cl)ccc2n1CC#N
InChIInChI=1S/C14H17ClN4/c1-3-18(4-2)10-14-17-12-9-11(15)5-6-13(12)19(14)8-7-16/h5-6,9H,3-4,8,10H2,1-2H3
InChIKeyJDMZWQJQTJLFHF-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.06
Rot. Bonds5

About 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile

2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311164) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311164
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile
SMILESCCN(CC)Cc1nc2cc(Cl)ccc2n1CC#N
InChIInChI=1S/C14H17ClN4/c1-3-18(4-2)10-14-17-12-9-11(15)5-6-13(12)19(14)8-7-16/h5-6,9H,3-4,8,10H2,1-2H3
InChIKeyJDMZWQJQTJLFHF-UHFFFAOYSA-N
XLogP3.06
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311171
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
CID 82311127
3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542
2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311201
3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308852
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
CID 82311680
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile (CID 82311164) is 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile is CCN(CC)Cc1nc2cc(Cl)ccc2n1CC#N.
What is the InChIKey of 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is JDMZWQJQTJLFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-3-18(4-2)10-14-17-12-9-11(15)5-6-13(12)19(14)8-7-16/h5-6,9H,3-4,8,10H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile?
2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 276.77 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).