5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one

C19H14ClN3O — CID 122667677

IUPAC5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(-c2cccc(Cl)c2-c2ccc3[nH]c(=O)[nH]c3c2)cn1
InChIInChI=1S/C19H14ClN3O/c1-11-5-6-13(10-21-11)14-3-2-4-15(20)18(14)12-7-8-16-17(9-12)23-19(24)22-16/h2-10H,1H3,(H2,22,23,24)
InChIKeyDYXSHTFQLRXKSY-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.55
Rot. Bonds2

About 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one

5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 122667677) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID122667677
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(-c2cccc(Cl)c2-c2ccc3[nH]c(=O)[nH]c3c2)cn1
InChIInChI=1S/C19H14ClN3O/c1-11-5-6-13(10-21-11)14-3-2-4-15(20)18(14)12-7-8-16-17(9-12)23-19(24)22-16/h2-10H,1H3,(H2,22,23,24)
InChIKeyDYXSHTFQLRXKSY-UHFFFAOYSA-N
XLogP4.55
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one (CID 122667677) is 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(-c2cccc(Cl)c2-c2ccc3[nH]c(=O)[nH]c3c2)cn1.
What is the InChIKey of 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DYXSHTFQLRXKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-11-5-6-13(10-21-11)14-3-2-4-15(20)18(14)12-7-8-16-17(9-12)23-19(24)22-16/h2-10H,1H3,(H2,22,23,24).
What are the key properties of 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 335.79 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122667677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).