2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide

C17H23N3O3 — CID 127050563

IUPAC2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(C1CCC(O)CC1)n2CCCO
InChIInChI=1S/C17H23N3O3/c18-16(23)12-4-7-15-14(10-12)19-17(20(15)8-1-9-21)11-2-5-13(22)6-3-11/h4,7,10-11,13,21-22H,1-3,5-6,8-9H2,(H2,18,23)
InChIKeyIKAXKGNBVUEIGG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.54
Rot. Bonds5

About 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide

2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide (PubChem CID 127050563) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide
PubChem CID127050563
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(C1CCC(O)CC1)n2CCCO
InChIInChI=1S/C17H23N3O3/c18-16(23)12-4-7-15-14(10-12)19-17(20(15)8-1-9-21)11-2-5-13(22)6-3-11/h4,7,10-11,13,21-22H,1-3,5-6,8-9H2,(H2,18,23)
InChIKeyIKAXKGNBVUEIGG-UHFFFAOYSA-N
XLogP1.54
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.54
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-(3-hydroxypropyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide (CID 127050563) is 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(C1CCC(O)CC1)n2CCCO.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide?
The InChIKey is IKAXKGNBVUEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-16(23)12-4-7-15-14(10-12)19-17(20(15)8-1-9-21)11-2-5-13(22)6-3-11/h4,7,10-11,13,21-22H,1-3,5-6,8-9H2,(H2,18,23).
What are the key properties of 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide?
2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 127050563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).