1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid

C14H16N2O4 — CID 104966720

IUPAC1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C14H16N2O4/c17-9-6-4-8(5-7-9)16-11-3-1-2-10(13(18)19)12(11)15-14(16)20/h1-3,8-9,17H,4-7H2,(H,15,20)(H,18,19)
InChIKeySAFLSDZYIYNZHW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.50
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid

1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (PubChem CID 104966720) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
PubChem CID104966720
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C14H16N2O4/c17-9-6-4-8(5-7-9)16-11-3-1-2-10(13(18)19)12(11)15-14(16)20/h1-3,8-9,17H,4-7H2,(H,15,20)(H,18,19)
InChIKeySAFLSDZYIYNZHW-UHFFFAOYSA-N
XLogP1.50
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-(6-oxopiperidin-3-yl)-3H-benzimidazole-4-carboxylic acid
CID 115541492
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
1-(2,2-dicyclopropylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541544
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 155679397
1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
CID 104966804
1-[(4-methylcyclohexyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541480
1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541346
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
2,3-dioxo-1-(oxolan-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 115541574
1-[(3-methylcyclopentyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 107413611
2,3-dioxo-1-(5-oxopyrrolidin-3-yl)-4H-quinoxaline-5-carboxylic acid
CID 106189481

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (CID 104966720) is 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1[nH]c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The InChIKey is SAFLSDZYIYNZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-9-6-4-8(5-7-9)16-11-3-1-2-10(13(18)19)12(11)15-14(16)20/h1-3,8-9,17H,4-7H2,(H,15,20)(H,18,19).
What are the key properties of 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 104966720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).