1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

C17H18N4O2 — CID 86807518

IUPAC1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1C
InChIInChI=1S/C17H18N4O2/c1-10-3-5-13(7-11(10)2)19-16(22)18-9-12-4-6-14-15(8-12)21-17(23)20-14/h3-8H,9H2,1-2H3,(H2,18,19,22)(H2,20,21,23)
InChIKeyWFGHKJLVAONOCL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (PubChem CID 86807518) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
PubChem CID86807518
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1C
InChIInChI=1S/C17H18N4O2/c1-10-3-5-13(7-11(10)2)19-16(22)18-9-12-4-6-14-15(8-12)21-17(23)20-14/h3-8H,9H2,1-2H3,(H2,18,19,22)(H2,20,21,23)
InChIKeyWFGHKJLVAONOCL-UHFFFAOYSA-N
XLogP2.79
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807539
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113943
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (CID 86807518) is 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is Cc1ccc(NC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The InChIKey is WFGHKJLVAONOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-3-5-13(7-11(10)2)19-16(22)18-9-12-4-6-14-15(8-12)21-17(23)20-14/h3-8H,9H2,1-2H3,(H2,18,19,22)(H2,20,21,23).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea has a molecular weight of 310.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 86807518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).