1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea

C17H18N4O — CID 110776332

IUPAC1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H18N4O/c1-11(2)18-17(22)19-13-8-9-14-15(10-13)21-16(20-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyWNIOEQFTQLRNLX-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea

1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea (PubChem CID 110776332) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
PubChem CID110776332
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H18N4O/c1-11(2)18-17(22)19-13-8-9-14-15(10-13)21-16(20-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyWNIOEQFTQLRNLX-UHFFFAOYSA-N
XLogP3.76
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 163397662
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide
CID 162360643
1-[2-(dimethylamino)ethyl]-3-[2-[4-[6-[2-(dimethylamino)ethylcarbamoylamino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]urea
CID 138648973
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 110796357
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
CID 10413942

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea (CID 110776332) is 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea?
The InChIKey is WNIOEQFTQLRNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(2)18-17(22)19-13-8-9-14-15(10-13)21-16(20-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea?
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea has a molecular weight of 294.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea is sourced from PubChem (CID 110776332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).