1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea

C16H16N4O — CID 18008864

IUPAC1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-2-17-16(21)20-15-18-13-9-8-12(10-14(13)19-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyNPQDLAMGUSTRMY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea (PubChem CID 18008864) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea
PubChem CID18008864
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-2-17-16(21)20-15-18-13-9-8-12(10-14(13)19-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyNPQDLAMGUSTRMY-UHFFFAOYSA-N
XLogP3.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea (CID 18008864) is 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2ccc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea?
The InChIKey is NPQDLAMGUSTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-17-16(21)20-15-18-13-9-8-12(10-14(13)19-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea has a molecular weight of 280.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-phenyl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 18008864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).