7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole

C15H12ClFN2 — CID 123855815

IUPAC7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole
SMILESCCc1nc2ccc(F)c(Cl)c2n1-c1ccccc1
InChIInChI=1S/C15H12ClFN2/c1-2-13-18-12-9-8-11(17)14(16)15(12)19(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyMPMRRHNVWDMJRK-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.38
Rot. Bonds2

About 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole

7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole (PubChem CID 123855815) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole
PubChem CID123855815
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole
SMILESCCc1nc2ccc(F)c(Cl)c2n1-c1ccccc1
InChIInChI=1S/C15H12ClFN2/c1-2-13-18-12-9-8-11(17)14(16)15(12)19(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyMPMRRHNVWDMJRK-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-7-ethynyl-1-phenylbenzimidazole
CID 130236073
5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
CID 144835105
2-(chloromethyl)-1-(4-ethylphenyl)-6,7-difluorobenzimidazole
CID 63546704
N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine
CID 123962648
4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 141051850
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(chloromethyl)-1-(2-ethylphenyl)-6,7-difluorobenzimidazole
CID 63547054
tert-butyl N-[1-(7-chloro-6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]carbamate
CID 77456126
2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole
CID 63545911
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
2-ethyl-7-fluoro-6-[(E)-3-oxobut-1-enyl]-3-phenylquinazolin-4-one
CID 170042705
(E)-3-(2-ethyl-7-fluoro-4-oxo-3-phenylquinazolin-6-yl)prop-2-enoic acid
CID 169081632

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole?
The IUPAC name of 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole (CID 123855815) is 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole.
What is the SMILES notation for 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole?
The canonical SMILES for 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole is CCc1nc2ccc(F)c(Cl)c2n1-c1ccccc1.
What is the InChIKey of 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole?
The InChIKey is MPMRRHNVWDMJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-2-13-18-12-9-8-11(17)14(16)15(12)19(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole?
7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole has a molecular weight of 274.73 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole is sourced from PubChem (CID 123855815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).