N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide

C23H26N4O3 — CID 131917940

IUPACN-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)nc(C)n3C)cc1NC(=O)C1CCCO1
InChIInChI=1S/C23H26N4O3/c1-14-6-8-17(12-18(14)26-23(29)21-5-4-10-30-21)22(28)24-13-16-7-9-20-19(11-16)25-15(2)27(20)3/h6-9,11-12,21H,4-5,10,13H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyWOIHBLWJVWYYEA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.24
Rot. Bonds5

About N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide

N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide (PubChem CID 131917940) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide
PubChem CID131917940
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)nc(C)n3C)cc1NC(=O)C1CCCO1
InChIInChI=1S/C23H26N4O3/c1-14-6-8-17(12-18(14)26-23(29)21-5-4-10-30-21)22(28)24-13-16-7-9-20-19(11-16)25-15(2)27(20)3/h6-9,11-12,21H,4-5,10,13H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyWOIHBLWJVWYYEA-UHFFFAOYSA-N
XLogP3.24
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]adamantane-1-carboxamide
CID 110785997
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide (CID 131917940) is N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide is Cc1ccc(C(=O)NCc2ccc3c(c2)nc(C)n3C)cc1NC(=O)C1CCCO1.
What is the InChIKey of N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide?
The InChIKey is WOIHBLWJVWYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14-6-8-17(12-18(14)26-23(29)21-5-4-10-30-21)22(28)24-13-16-7-9-20-19(11-16)25-15(2)27(20)3/h6-9,11-12,21H,4-5,10,13H2,1-3H3,(H,24,28)(H,26,29).
What are the key properties of N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide?
N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,2-dimethylbenzimidazol-5-yl)methylcarbamoyl]-2-methylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 131917940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).