N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide

C27H19ClFN3O — CID 90031431

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide
SMILESCc1cc(-c2cccc(F)c2)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C27H19ClFN3O/c1-16-13-18(17-5-4-6-19(29)14-17)9-11-21(16)27(33)30-20-10-12-23(28)22(15-20)26-31-24-7-2-3-8-25(24)32-26/h2-15H,1H3,(H,30,33)(H,31,32)
InChIKeyQTZJZMPNFGAFOA-UHFFFAOYSA-N
MW455.92 g/mol
LogP7.25
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide (PubChem CID 90031431) has the molecular formula C27H19ClFN3O and a molecular weight of 455.92 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide
PubChem CID90031431
Molecular FormulaC27H19ClFN3O
Molecular Weight455.92 g/mol
Exact Mass455.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide
SMILESCc1cc(-c2cccc(F)c2)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C27H19ClFN3O/c1-16-13-18(17-5-4-6-19(29)14-17)9-11-21(16)27(33)30-20-10-12-23(28)22(15-20)26-31-24-7-2-3-8-25(24)32-26/h2-15H,1H3,(H,30,33)(H,31,32)
InChIKeyQTZJZMPNFGAFOA-UHFFFAOYSA-N
XLogP7.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
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-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 90032214
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide
CID 1213552
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17104338
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-4-fluorobenzamide
CID 46823373
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4-diethoxy-5-methylbenzamide
CID 59242140

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide (CID 90031431) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide is Cc1cc(-c2cccc(F)c2)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide?
The InChIKey is QTZJZMPNFGAFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClFN3O/c1-16-13-18(17-5-4-6-19(29)14-17)9-11-21(16)27(33)30-20-10-12-23(28)22(15-20)26-31-24-7-2-3-8-25(24)32-26/h2-15H,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(3-fluorophenyl)-2-methylbenzamide has a molecular weight of 455.92 g/mol, XLogP of 7.25, 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]-4-(3-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 90031431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).