5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H18N2O2 — CID 116928496

IUPAC5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CC3CCC(O)CC3)cc2[nH]1
InChIInChI=1S/C14H18N2O2/c17-11-4-1-9(2-5-11)7-10-3-6-12-13(8-10)16-14(18)15-12/h3,6,8-9,11,17H,1-2,4-5,7H2,(H2,15,16,18)
InChIKeyAHGREOOQMCYEDQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.95
Rot. Bonds2

About 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116928496) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116928496
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CC3CCC(O)CC3)cc2[nH]1
InChIInChI=1S/C14H18N2O2/c17-11-4-1-9(2-5-11)7-10-3-6-12-13(8-10)16-14(18)15-12/h3,6,8-9,11,17H,1-2,4-5,7H2,(H2,15,16,18)
InChIKeyAHGREOOQMCYEDQ-UHFFFAOYSA-N
XLogP1.95
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926363
5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115239763
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745310
5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745192
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 10293256
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 22745215
5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167895937
4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclohexan-1-ol
CID 116999268

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 116928496) is 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(CC3CCC(O)CC3)cc2[nH]1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AHGREOOQMCYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-11-4-1-9(2-5-11)7-10-3-6-12-13(8-10)16-14(18)15-12/h3,6,8-9,11,17H,1-2,4-5,7H2,(H2,15,16,18).
What are the key properties of 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116928496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).