N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine

C11H15ClN4 — CID 83842833

IUPACN'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc2c(Cl)cccc2n1C
InChIInChI=1S/C11H15ClN4/c1-15(7-6-13)11-14-10-8(12)4-3-5-9(10)16(11)2/h3-5H,6-7,13H2,1-2H3
InChIKeyHPWCXHZODCRIBV-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.62
Rot. Bonds3

About N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine

N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 83842833) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
PubChem CID83842833
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc2c(Cl)cccc2n1C
InChIInChI=1S/C11H15ClN4/c1-15(7-6-13)11-14-10-8(12)4-3-5-9(10)16(11)2/h3-5H,6-7,13H2,1-2H3
InChIKeyHPWCXHZODCRIBV-UHFFFAOYSA-N
XLogP1.62
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 83836721
2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84633298
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
CID 84689488
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
4-chloro-1-(2,4-dichlorophenyl)benzimidazol-2-amine
CID 104836871
2-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 104837433
4-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 104837243

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine (CID 83842833) is N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1nc2c(Cl)cccc2n1C.
What is the InChIKey of N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is HPWCXHZODCRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-15(7-6-13)11-14-10-8(12)4-3-5-9(10)16(11)2/h3-5H,6-7,13H2,1-2H3.
What are the key properties of N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 238.72 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83842833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).