2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole

C15H19ClN2 — CID 82334188

IUPAC2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C(C)Cl)nc2cc(C(C)C)ccc21
InChIInChI=1S/C15H19ClN2/c1-5-8-18-14-7-6-12(10(2)3)9-13(14)17-15(18)11(4)16/h5-7,9-11H,1,8H2,2-4H3
InChIKeyGDSCTEXAAZQJAD-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.65
Rot. Bonds4

About 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole

2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole (PubChem CID 82334188) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole
PubChem CID82334188
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(C(C)Cl)nc2cc(C(C)C)ccc21
InChIInChI=1S/C15H19ClN2/c1-5-8-18-14-7-6-12(10(2)3)9-13(14)17-15(18)11(4)16/h5-7,9-11H,1,8H2,2-4H3
InChIKeyGDSCTEXAAZQJAD-UHFFFAOYSA-N
XLogP4.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole 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-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82024893
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985
2-(1-bromopropyl)-5-fluoro-1-prop-2-enylbenzimidazole
CID 82332407
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
CID 82334173
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
CID 82334391
1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82333037

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole (CID 82334188) is 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole is C=CCn1c(C(C)Cl)nc2cc(C(C)C)ccc21.
What is the InChIKey of 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole?
The InChIKey is GDSCTEXAAZQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-5-8-18-14-7-6-12(10(2)3)9-13(14)17-15(18)11(4)16/h5-7,9-11H,1,8H2,2-4H3.
What are the key properties of 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole?
2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole has a molecular weight of 262.78 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 82334188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).