N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine

C14H12ClN3 — CID 126502975

IUPACN-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
SMILESCc1cc(Nc2nc3ccccc3[nH]2)ccc1Cl
InChIInChI=1S/C14H12ClN3/c1-9-8-10(6-7-11(9)15)16-14-17-12-4-2-3-5-13(12)18-14/h2-8H,1H3,(H2,16,17,18)
InChIKeyGNNRKLIRXRBJTJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.27
Rot. Bonds2

About N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine

N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine (PubChem CID 126502975) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
PubChem CID126502975
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC NameN-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
SMILESCc1cc(Nc2nc3ccccc3[nH]2)ccc1Cl
InChIInChI=1S/C14H12ClN3/c1-9-8-10(6-7-11(9)15)16-14-17-12-4-2-3-5-13(12)18-14/h2-8H,1H3,(H2,16,17,18)
InChIKeyGNNRKLIRXRBJTJ-UHFFFAOYSA-N
XLogP4.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 115143741
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
CID 59327050
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine (CID 126502975) is N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine is Cc1cc(Nc2nc3ccccc3[nH]2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine?
The InChIKey is GNNRKLIRXRBJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-8-10(6-7-11(9)15)16-14-17-12-4-2-3-5-13(12)18-14/h2-8H,1H3,(H2,16,17,18).
What are the key properties of N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine?
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine has a molecular weight of 257.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 126502975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).