2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide

C22H16N4O3 — CID 38465374

IUPAC2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O3/c1-13-23-17-11-14(7-9-19(17)26(13)16-5-3-2-4-6-16)21(27)24-15-8-10-20-18(12-15)25-22(28)29-20/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyCLVFPIKIVGBFCE-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide

2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide (PubChem CID 38465374) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
PubChem CID38465374
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O3/c1-13-23-17-11-14(7-9-19(17)26(13)16-5-3-2-4-6-16)21(27)24-15-8-10-20-18(12-15)25-22(28)29-20/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyCLVFPIKIVGBFCE-UHFFFAOYSA-N
XLogP4.02
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylbenzimidazole-5-carboxamide
CID 40718348
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
CID 60578647
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide (CID 38465374) is 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is CLVFPIKIVGBFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-13-23-17-11-14(7-9-19(17)26(13)16-5-3-2-4-6-16)21(27)24-15-8-10-20-18(12-15)25-22(28)29-20/h2-12H,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide?
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 38465374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).