N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

C28H19ClF3N3O — CID 90032214

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H19ClF3N3O/c1-16-14-18(8-12-21(16)17-6-9-19(10-7-17)28(30,31)32)27(36)33-20-11-13-23(29)22(15-20)26-34-24-4-2-3-5-25(24)35-26/h2-15H,1H3,(H,33,36)(H,34,35)
InChIKeyVWKFIUINWGPOQG-UHFFFAOYSA-N
MW505.93 g/mol
LogP8.13
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 90032214) has the molecular formula C28H19ClF3N3O and a molecular weight of 505.93 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID90032214
Molecular FormulaC28H19ClF3N3O
Molecular Weight505.93 g/mol
Exact Mass505.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H19ClF3N3O/c1-16-14-18(8-12-21(16)17-6-9-19(10-7-17)28(30,31)32)27(36)33-20-11-13-23(29)22(15-20)26-34-24-4-2-3-5-25(24)35-26/h2-15H,1H3,(H,33,36)(H,34,35)
InChIKeyVWKFIUINWGPOQG-UHFFFAOYSA-N
XLogP8.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.93
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
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CID 5346054
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4-diethoxy-5-methylbenzamide
CID 59242140
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide
CID 90031431
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 110162739
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 70967039
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide (CID 90032214) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VWKFIUINWGPOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClF3N3O/c1-16-14-18(8-12-21(16)17-6-9-19(10-7-17)28(30,31)32)27(36)33-20-11-13-23(29)22(15-20)26-34-24-4-2-3-5-25(24)35-26/h2-15H,1H3,(H,33,36)(H,34,35).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 505.93 g/mol, XLogP of 8.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 90032214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).