5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine

C17H12ClN3 — CID 43659401

IUPAC5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1cccc2ccccc12
InChIInChI=1S/C17H12ClN3/c18-12-8-9-16-14(10-12)20-17(19)21(16)15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H2,19,20)
InChIKeyKKQMIMKQORGCIE-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.41
Rot. Bonds1

About 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine

5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine (PubChem CID 43659401) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine
PubChem CID43659401
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1cccc2ccccc12
InChIInChI=1S/C17H12ClN3/c18-12-8-9-16-14(10-12)20-17(19)21(16)15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H2,19,20)
InChIKeyKKQMIMKQORGCIE-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
5-chloro-1-[2-(difluoromethylsulfanyl)phenyl]benzimidazol-2-amine
CID 43659409
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
1-(2-bromo-5-chloro-4-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 104724612

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine (CID 43659401) is 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1-c1cccc2ccccc12.
What is the InChIKey of 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine?
The InChIKey is KKQMIMKQORGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-12-8-9-16-14(10-12)20-17(19)21(16)15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H2,19,20).
What are the key properties of 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine?
5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine has a molecular weight of 293.76 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine is sourced from PubChem (CID 43659401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).