N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C15H19N3O3 — CID 110895299

IUPACN-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)NC1CCC(O)CC1
InChIInChI=1S/C15H19N3O3/c19-11-7-5-10(6-8-11)16-14(20)9-18-13-4-2-1-3-12(13)17-15(18)21/h1-4,10-11,19H,5-9H2,(H,16,20)(H,17,21)
InChIKeyWHLYIFDRRBQTCR-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.75
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 110895299) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID110895299
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)NC1CCC(O)CC1
InChIInChI=1S/C15H19N3O3/c19-11-7-5-10(6-8-11)16-14(20)9-18-13-4-2-1-3-12(13)17-15(18)21/h1-4,10-11,19H,5-9H2,(H,16,20)(H,17,21)
InChIKeyWHLYIFDRRBQTCR-UHFFFAOYSA-N
XLogP0.75
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 110895299) is N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc21)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is WHLYIFDRRBQTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-11-7-5-10(6-8-11)16-14(20)9-18-13-4-2-1-3-12(13)17-15(18)21/h1-4,10-11,19H,5-9H2,(H,16,20)(H,17,21).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 110895299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).