1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide

C17H21N3O2 — CID 155953216

IUPAC1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC3CC4(CC4)C3)ccc2n1CCO
InChIInChI=1S/C17H21N3O2/c1-11-18-14-8-12(2-3-15(14)20(11)6-7-21)16(22)19-13-9-17(10-13)4-5-17/h2-3,8,13,21H,4-7,9-10H2,1H3,(H,19,22)
InChIKeyNGJLFOUKBPZWAT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.01
Rot. Bonds4

About 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide

1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide (PubChem CID 155953216) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide
PubChem CID155953216
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC3CC4(CC4)C3)ccc2n1CCO
InChIInChI=1S/C17H21N3O2/c1-11-18-14-8-12(2-3-15(14)20(11)6-7-21)16(22)19-13-9-17(10-13)4-5-17/h2-3,8,13,21H,4-7,9-10H2,1H3,(H,19,22)
InChIKeyNGJLFOUKBPZWAT-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide (CID 155953216) is 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NC3CC4(CC4)C3)ccc2n1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide?
The InChIKey is NGJLFOUKBPZWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-18-14-8-12(2-3-15(14)20(11)6-7-21)16(22)19-13-9-17(10-13)4-5-17/h2-3,8,13,21H,4-7,9-10H2,1H3,(H,19,22).
What are the key properties of 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide?
1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-methyl-N-spiro[2.3]hexan-5-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 155953216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).