5-(2-chloroethyl)-1-methylbenzimidazole

C10H11ClN2 — CID 82255547

IUPAC5-(2-chloroethyl)-1-methylbenzimidazole
SMILESCn1cnc2cc(CCCl)ccc21
InChIInChI=1S/C10H11ClN2/c1-13-7-12-9-6-8(4-5-11)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyHFGDFKFXDULOGD-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.35
Rot. Bonds2

About 5-(2-chloroethyl)-1-methylbenzimidazole

5-(2-chloroethyl)-1-methylbenzimidazole (PubChem CID 82255547) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 5-(2-chloroethyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-1-methylbenzimidazole
PubChem CID82255547
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name5-(2-chloroethyl)-1-methylbenzimidazole
SMILESCn1cnc2cc(CCCl)ccc21
InChIInChI=1S/C10H11ClN2/c1-13-7-12-9-6-8(4-5-11)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3
InChIKeyHFGDFKFXDULOGD-UHFFFAOYSA-N
XLogP2.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269
N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115206036
N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-1-methylbenzimidazole?
The IUPAC name of 5-(2-chloroethyl)-1-methylbenzimidazole (CID 82255547) is 5-(2-chloroethyl)-1-methylbenzimidazole.
What is the SMILES notation for 5-(2-chloroethyl)-1-methylbenzimidazole?
The canonical SMILES for 5-(2-chloroethyl)-1-methylbenzimidazole is Cn1cnc2cc(CCCl)ccc21.
What is the InChIKey of 5-(2-chloroethyl)-1-methylbenzimidazole?
The InChIKey is HFGDFKFXDULOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-13-7-12-9-6-8(4-5-11)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-(2-chloroethyl)-1-methylbenzimidazole?
5-(2-chloroethyl)-1-methylbenzimidazole has a molecular weight of 194.66 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-1-methylbenzimidazole is sourced from PubChem (CID 82255547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).