2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide

C23H24N4O2 — CID 35189104

IUPAC2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C23H24N4O2/c1-13(2)16-5-8-18(9-6-16)27-14(3)11-19(15(27)4)22(28)24-17-7-10-20-21(12-17)26-23(29)25-20/h5-13H,1-4H3,(H,24,28)(H2,25,26,29)
InChIKeySAIBMARHYPMVMR-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.64
Rot. Bonds4

About 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide

2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide (PubChem CID 35189104) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
PubChem CID35189104
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C23H24N4O2/c1-13(2)16-5-8-18(9-6-16)27-14(3)11-19(15(27)4)22(28)24-17-7-10-20-21(12-17)26-23(29)25-20/h5-13H,1-4H3,(H,24,28)(H2,25,26,29)
InChIKeySAIBMARHYPMVMR-UHFFFAOYSA-N
XLogP4.64
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31887523
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
1-(4-fluorophenyl)-2,5-dimethyl-N-pyridin-4-ylpyrrole-3-carboxamide
CID 39954277
2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281468
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 55702473
3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 70877699
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
CID 110867247
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide (CID 35189104) is 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is SAIBMARHYPMVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-13(2)16-5-8-18(9-6-16)27-14(3)11-19(15(27)4)22(28)24-17-7-10-20-21(12-17)26-23(29)25-20/h5-13H,1-4H3,(H,24,28)(H2,25,26,29).
What are the key properties of 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 35189104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).