N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

C24H18N4O2 — CID 146021559

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)[nH]c2c1
InChIInChI=1S/C24H18N4O2/c1-15-7-12-19-20(13-15)27-23(26-19)17-8-10-18(11-9-17)25-24(29)21-14-22(30-28-21)16-5-3-2-4-6-16/h2-14H,1H3,(H,25,29)(H,26,27)
InChIKeyMWWHISRSXANCDN-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.45
Rot. Bonds4

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 146021559) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID146021559
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)[nH]c2c1
InChIInChI=1S/C24H18N4O2/c1-15-7-12-19-20(13-15)27-23(26-19)17-8-10-18(11-9-17)25-24(29)21-14-22(30-28-21)16-5-3-2-4-6-16/h2-14H,1H3,(H,25,29)(H,26,27)
InChIKeyMWWHISRSXANCDN-UHFFFAOYSA-N
XLogP5.45
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559
N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20740131
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
CID 58084336
CID 58084336

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 146021559) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MWWHISRSXANCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15-7-12-19-20(13-15)27-23(26-19)17-8-10-18(11-9-17)25-24(29)21-14-22(30-28-21)16-5-3-2-4-6-16/h2-14H,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146021559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).