2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

C17H23N3O3 — CID 127050564

IUPAC2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
SMILESC[C@@H](O)Cn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H23N3O3/c1-10(21)9-20-15-7-4-12(16(18)23)8-14(15)19-17(20)11-2-5-13(22)6-3-11/h4,7-8,10-11,13,21-22H,2-3,5-6,9H2,1H3,(H2,18,23)/t10-,11?,13?/m1/s1
InChIKeyIOFFEHYHGWZSAF-XSRFYTQQSA-N
MW317.39 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide (PubChem CID 127050564) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
PubChem CID127050564
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
SMILESC[C@@H](O)Cn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H23N3O3/c1-10(21)9-20-15-7-4-12(16(18)23)8-14(15)19-17(20)11-2-5-13(22)6-3-11/h4,7-8,10-11,13,21-22H,2-3,5-6,9H2,1H3,(H2,18,23)/t10-,11?,13?/m1/s1
InChIKeyIOFFEHYHGWZSAF-XSRFYTQQSA-N
XLogP1.53
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.53
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-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide (CID 127050564) is 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide is C[C@@H](O)Cn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The InChIKey is IOFFEHYHGWZSAF-XSRFYTQQSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(21)9-20-15-7-4-12(16(18)23)8-14(15)19-17(20)11-2-5-13(22)6-3-11/h4,7-8,10-11,13,21-22H,2-3,5-6,9H2,1H3,(H2,18,23)/t10-,11?,13?/m1/s1.
What are the key properties of 2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
2-(4-hydroxycyclohexyl)-1-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.53, 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-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 127050564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).