N-(2-chlorophenyl)-1H-benzimidazol-2-amine

C13H10ClN3 — CID 4088446

IUPACN-(2-chlorophenyl)-1H-benzimidazol-2-amine
SMILESClc1ccccc1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H10ClN3/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H2,15,16,17)
InChIKeyYCZZPUSUALSVCO-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.96
Rot. Bonds2

About N-(2-chlorophenyl)-1H-benzimidazol-2-amine

N-(2-chlorophenyl)-1H-benzimidazol-2-amine (PubChem CID 4088446) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1H-benzimidazol-2-amine
PubChem CID4088446
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC NameN-(2-chlorophenyl)-1H-benzimidazol-2-amine
SMILESClc1ccccc1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H10ClN3/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H2,15,16,17)
InChIKeyYCZZPUSUALSVCO-UHFFFAOYSA-N
XLogP3.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548130
N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865264
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
N-(2-chloroanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 3576719
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865262
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-1H-benzimidazol-2-amine (CID 4088446) is N-(2-chlorophenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-1H-benzimidazol-2-amine is Clc1ccccc1Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-1H-benzimidazol-2-amine?
The InChIKey is YCZZPUSUALSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,(H2,15,16,17).
What are the key properties of N-(2-chlorophenyl)-1H-benzimidazol-2-amine?
N-(2-chlorophenyl)-1H-benzimidazol-2-amine has a molecular weight of 243.70 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 4088446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).