2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide

C19H25N3O3 — CID 126839258

IUPAC2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C19H25N3O3/c23-12-17-21-15-5-4-13(10-16(15)22-17)18(24)20-14-6-9-25-19(11-14)7-2-1-3-8-19/h4-5,10,14,23H,1-3,6-9,11-12H2,(H,20,24)(H,21,22)
InChIKeyZVYNCDLYTUGXJK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.67
Rot. Bonds3

About 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide

2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 126839258) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide
PubChem CID126839258
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C19H25N3O3/c23-12-17-21-15-5-4-13(10-16(15)22-17)18(24)20-14-6-9-25-19(11-14)7-2-1-3-8-19/h4-5,10,14,23H,1-3,6-9,11-12H2,(H,20,24)(H,21,22)
InChIKeyZVYNCDLYTUGXJK-UHFFFAOYSA-N
XLogP2.67
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide
CID 99601505
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide
CID 127984291
N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide
CID 127600072
N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99714773
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide
CID 127984240
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide (CID 126839258) is 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide is O=C(NC1CCOC2(CCCCC2)C1)c1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ZVYNCDLYTUGXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-12-17-21-15-5-4-13(10-16(15)22-17)18(24)20-14-6-9-25-19(11-14)7-2-1-3-8-19/h4-5,10,14,23H,1-3,6-9,11-12H2,(H,20,24)(H,21,22).
What are the key properties of 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide?
2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 126839258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).