2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide

C16H21N3O3 — CID 127050562

IUPAC2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(C1CCC(O)CC1)n2CCO
InChIInChI=1S/C16H21N3O3/c17-15(22)11-3-6-14-13(9-11)18-16(19(14)7-8-20)10-1-4-12(21)5-2-10/h3,6,9-10,12,20-21H,1-2,4-5,7-8H2,(H2,17,22)
InChIKeySDTXZRMORPGVBY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.15
Rot. Bonds4

About 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide

2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide (PubChem CID 127050562) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
PubChem CID127050562
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(C1CCC(O)CC1)n2CCO
InChIInChI=1S/C16H21N3O3/c17-15(22)11-3-6-14-13(9-11)18-16(19(14)7-8-20)10-1-4-12(21)5-2-10/h3,6,9-10,12,20-21H,1-2,4-5,7-8H2,(H2,17,22)
InChIKeySDTXZRMORPGVBY-UHFFFAOYSA-N
XLogP1.15
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide (CID 127050562) is 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(C1CCC(O)CC1)n2CCO.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The InChIKey is SDTXZRMORPGVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-15(22)11-3-6-14-13(9-11)18-16(19(14)7-8-20)10-1-4-12(21)5-2-10/h3,6,9-10,12,20-21H,1-2,4-5,7-8H2,(H2,17,22).
What are the key properties of 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 127050562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).