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

C24H23N5O3 — CID 20740131

IUPACN-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCC5)cc4[nH]3)cc2)no1
InChIInChI=1S/C24H23N5O3/c1-14-12-21(29-32-14)24(31)26-18-9-6-15(7-10-18)22-27-19-11-8-16(13-20(19)28-22)23(30)25-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyOBCCLDMPHMSWFD-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.45
Rot. Bonds5

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

N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 20740131) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID20740131
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCC5)cc4[nH]3)cc2)no1
InChIInChI=1S/C24H23N5O3/c1-14-12-21(29-32-14)24(31)26-18-9-6-15(7-10-18)22-27-19-11-8-16(13-20(19)28-22)23(30)25-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyOBCCLDMPHMSWFD-UHFFFAOYSA-N
XLogP4.45
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 71169804
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
2-[4-(4H-azepine-7-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 142169309
N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 11451364

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 20740131) is N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)NC5CCCC5)cc4[nH]3)cc2)no1.
What is the InChIKey of N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is OBCCLDMPHMSWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-12-21(29-32-14)24(31)26-18-9-6-15(7-10-18)22-27-19-11-8-16(13-20(19)28-22)23(30)25-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20740131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).