2-(2-chloro-4-phenylphenyl)-1H-benzimidazole

C19H13ClN2 — CID 168554361

IUPAC2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
SMILESClc1cc(-c2ccccc2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13ClN2/c20-16-12-14(13-6-2-1-3-7-13)10-11-15(16)19-21-17-8-4-5-9-18(17)22-19/h1-12H,(H,21,22)
InChIKeyIDQFSISNPCEHFU-UHFFFAOYSA-N
MW304.78 g/mol
LogP5.55
Rot. Bonds2

About 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole

2-(2-chloro-4-phenylphenyl)-1H-benzimidazole (PubChem CID 168554361) has the molecular formula C19H13ClN2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
PubChem CID168554361
Molecular FormulaC19H13ClN2
Molecular Weight304.78 g/mol
Exact Mass304.08
IUPAC Name2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
SMILESClc1cc(-c2ccccc2)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13ClN2/c20-16-12-14(13-6-2-1-3-7-13)10-11-15(16)19-21-17-8-4-5-9-18(17)22-19/h1-12H,(H,21,22)
InChIKeyIDQFSISNPCEHFU-UHFFFAOYSA-N
XLogP5.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
CID 141467779

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole (CID 168554361) is 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole is Clc1cc(-c2ccccc2)ccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole?
The InChIKey is IDQFSISNPCEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2/c20-16-12-14(13-6-2-1-3-7-13)10-11-15(16)19-21-17-8-4-5-9-18(17)22-19/h1-12H,(H,21,22).
What are the key properties of 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole?
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole has a molecular weight of 304.78 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 168554361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).