1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one

C16H13ClN4O — CID 44520768

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one
SMILESO=C1N(c2ccccc2)CCN1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H13ClN4O/c17-11-6-7-13-14(10-11)19-15(18-13)21-9-8-20(16(21)22)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyNYTAKBBVMIOYLC-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.66
Rot. Bonds2

About 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one

1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one (PubChem CID 44520768) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one
PubChem CID44520768
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one
SMILESO=C1N(c2ccccc2)CCN1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H13ClN4O/c17-11-6-7-13-14(10-11)19-15(18-13)21-9-8-20(16(21)22)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyNYTAKBBVMIOYLC-UHFFFAOYSA-N
XLogP3.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one (CID 44520768) is 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one is O=C1N(c2ccccc2)CCN1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one?
The InChIKey is NYTAKBBVMIOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-6-7-13-14(10-11)19-15(18-13)21-9-8-20(16(21)22)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one?
1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one has a molecular weight of 312.76 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-benzimidazol-2-yl)-3-phenylimidazolidin-2-one is sourced from PubChem (CID 44520768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).