5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one

C19H19Cl2N3O — CID 122656627

IUPAC5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)ccc(CN4CCCCC4)c3Cl)cc2[nH]1
InChIInChI=1S/C19H19Cl2N3O/c20-14-6-4-13(11-24-8-2-1-3-9-24)18(21)17(14)12-5-7-15-16(10-12)23-19(25)22-15/h4-7,10H,1-3,8-9,11H2,(H2,22,23,25)
InChIKeyPQOAHISERMMNKL-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.82
Rot. Bonds3

About 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one

5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656627) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID122656627
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)ccc(CN4CCCCC4)c3Cl)cc2[nH]1
InChIInChI=1S/C19H19Cl2N3O/c20-14-6-4-13(11-24-8-2-1-3-9-24)18(21)17(14)12-5-7-15-16(10-12)23-19(25)22-15/h4-7,10H,1-3,8-9,11H2,(H2,22,23,25)
InChIKeyPQOAHISERMMNKL-UHFFFAOYSA-N
XLogP4.82
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-chloro-6-(difluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122656517
2-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]-2-methylpropanenitrile
CID 122656686
2-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 9452865
4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile
CID 122656620
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
5-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122667655
5-[2-chloro-6-(6-methyl-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122667677
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
5-(6-chloro-5-piperidin-1-ylcyclohexen-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 163707745
5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122667682

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one (CID 122656627) is 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)ccc(CN4CCCCC4)c3Cl)cc2[nH]1.
What is the InChIKey of 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PQOAHISERMMNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-14-6-4-13(11-24-8-2-1-3-9-24)18(21)17(14)12-5-7-15-16(10-12)23-19(25)22-15/h4-7,10H,1-3,8-9,11H2,(H2,22,23,25).
What are the key properties of 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 376.29 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-3-(piperidin-1-ylmethyl)phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).