1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C20H22N4O2 — CID 2349729

IUPAC1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C20H22N4O2/c1-12(2)13-6-5-7-14(10-13)20(3,4)24-19(26)21-15-8-9-16-17(11-15)23-18(25)22-16/h5-11H,1H2,2-4H3,(H2,21,24,26)(H2,22,23,25)
InChIKeyKFXJZDILTSMDFK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.95
Rot. Bonds4

About 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 2349729) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID2349729
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C20H22N4O2/c1-12(2)13-6-5-7-14(10-13)20(3,4)24-19(26)21-15-8-9-16-17(11-15)23-18(25)22-16/h5-11H,1H2,2-4H3,(H2,21,24,26)(H2,22,23,25)
InChIKeyKFXJZDILTSMDFK-UHFFFAOYSA-N
XLogP3.95
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2328600
1-(4-Methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 3629808
5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 590528
1-(3,4-dimethylphenyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
CID 2369866
2,4,6-trimethyl-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 3480396
5-{[(2-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 3162122
2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-acetamide
CID 10177679
4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-benzoimidazol-2-one
CID 18414156
6-anilino-3-benzyl-1H-benzimidazol-2-one
CID 21937745
6-anilino-3-tert-butyl-1H-benzimidazol-2-one
CID 21937771
3-(cyclohexylmethyl)-6-(2-methylanilino)-1H-benzimidazol-2-one
CID 21937817
5-(2,6-Dimethylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656604

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 2349729) is 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is KFXJZDILTSMDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12(2)13-6-5-7-14(10-13)20(3,4)24-19(26)21-15-8-9-16-17(11-15)23-18(25)22-16/h5-11H,1H2,2-4H3,(H2,21,24,26)(H2,22,23,25).
What are the key properties of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 350.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 2349729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).