1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one

C19H22N2O — CID 56651050

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H22N2O/c1-19(2,3)13-21-16-11-10-15(14-8-6-5-7-9-14)12-17(16)20(4)18(21)22/h5-12H,13H2,1-4H3
InChIKeyOXGRLUORTBVGQN-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.05
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one (PubChem CID 56651050) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one
PubChem CID56651050
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H22N2O/c1-19(2,3)13-21-16-11-10-15(14-8-6-5-7-9-14)12-17(16)20(4)18(21)22/h5-12H,13H2,1-4H3
InChIKeyOXGRLUORTBVGQN-UHFFFAOYSA-N
XLogP4.05
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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GNF-Pf-4385
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1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
1H-Indole-1-carboxamide, 2,3-dihydro-N-(4-methylphenyl)-
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Orphine
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5-(aminomethyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 757168
Benzimidazolone scaffold, 8b
CID 42618254
Benzimidazolone scaffold, 8e
CID 42618257
Benzimidazolone scaffold, 8f
CID 42618258
N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
CID 71524635

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one (CID 56651050) is 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one?
The InChIKey is OXGRLUORTBVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2,3)13-21-16-11-10-15(14-8-6-5-7-9-14)12-17(16)20(4)18(21)22/h5-12H,13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one has a molecular weight of 294.40 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-phenylbenzimidazol-2-one is sourced from PubChem (CID 56651050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).