1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea

C14H11ClN4O — CID 844285

IUPAC1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11ClN4O/c15-9-4-3-5-10(8-9)16-14(20)19-13-17-11-6-1-2-7-12(11)18-13/h1-8H,(H3,16,17,18,19,20)
InChIKeyYBMWQUIVUSOXGD-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.86
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea

1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea (PubChem CID 844285) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea
PubChem CID844285
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11ClN4O/c15-9-4-3-5-10(8-9)16-14(20)19-13-17-11-6-1-2-7-12(11)18-13/h1-8H,(H3,16,17,18,19,20)
InChIKeyYBMWQUIVUSOXGD-UHFFFAOYSA-N
XLogP3.86
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea (CID 844285) is 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea?
The InChIKey is YBMWQUIVUSOXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-9-4-3-5-10(8-9)16-14(20)19-13-17-11-6-1-2-7-12(11)18-13/h1-8H,(H3,16,17,18,19,20).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea?
1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea has a molecular weight of 286.72 g/mol, XLogP of 3.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 844285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).