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

C16H16N4O2 — CID 110775421

IUPAC1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O2/c21-15(17-9-11-4-2-1-3-5-11)18-10-12-6-7-13-14(8-12)20-16(22)19-13/h1-8H,9-10H2,(H2,17,18,21)(H2,19,20,22)
InChIKeyAQQRIVSJIYGKSF-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.86
Rot. Bonds4

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

1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (PubChem CID 110775421) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
PubChem CID110775421
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O2/c21-15(17-9-11-4-2-1-3-5-11)18-10-12-6-7-13-14(8-12)20-16(22)19-13/h1-8H,9-10H2,(H2,17,18,21)(H2,19,20,22)
InChIKeyAQQRIVSJIYGKSF-UHFFFAOYSA-N
XLogP1.86
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea
CID 167908247
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 158499935
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
CID 155518930
5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113900
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide
CID 166238501
2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]sulfanylacetic acid
CID 120550099
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (CID 110775421) is 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The InChIKey is AQQRIVSJIYGKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(17-9-11-4-2-1-3-5-11)18-10-12-6-7-13-14(8-12)20-16(22)19-13/h1-8H,9-10H2,(H2,17,18,21)(H2,19,20,22).
What are the key properties of 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea has a molecular weight of 296.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 110775421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).