5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one

C18H13ClN2O — CID 5276383

IUPAC5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClN2O/c19-15-7-8-16-17(10-15)21(18(22)20-16)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,20,22)
InChIKeyKJEVEUACKYEJQB-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.18
Rot. Bonds2

About 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one

5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 5276383) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one
PubChem CID5276383
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClN2O/c19-15-7-8-16-17(10-15)21(18(22)20-16)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,20,22)
InChIKeyKJEVEUACKYEJQB-UHFFFAOYSA-N
XLogP4.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one (CID 5276383) is 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is KJEVEUACKYEJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-15-7-8-16-17(10-15)21(18(22)20-16)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,20,22).
What are the key properties of 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one?
5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 308.77 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(naphthalen-2-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 5276383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).