N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride

C14H14ClN3 — CID 22288832

IUPACN-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCc1ccccc1Nc1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C14H13N3.ClH/c1-10-6-2-3-7-11(10)15-14-16-12-8-4-5-9-13(12)17-14;/h2-9H,1H3,(H2,15,16,17);1H
InChIKeyXIXSSRGFPANEPS-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.04
Rot. Bonds2

About N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride

N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 22288832) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
PubChem CID22288832
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC NameN-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCc1ccccc1Nc1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C14H13N3.ClH/c1-10-6-2-3-7-11(10)15-14-16-12-8-4-5-9-13(12)17-14;/h2-9H,1H3,(H2,15,16,17);1H
InChIKeyXIXSSRGFPANEPS-UHFFFAOYSA-N
XLogP4.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.04
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-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
2-[2-(2-methylanilino)-3H-benzimidazol-5-yl]acetaldehyde
CID 20586175
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138
N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80548130
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
CID 59327050
N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865264

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride (CID 22288832) is N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride is Cc1ccccc1Nc1nc2ccccc2[nH]1.Cl.
What is the InChIKey of N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is XIXSSRGFPANEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.ClH/c1-10-6-2-3-7-11(10)15-14-16-12-8-4-5-9-13(12)17-14;/h2-9H,1H3,(H2,15,16,17);1H.
What are the key properties of N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride?
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 22288832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).