N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide

C20H22N4O3 — CID 91769261

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESO=C(NC(c1ccccn1)C1CC(O)C1)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C20H22N4O3/c25-8-7-24-12-22-17-11-13(4-5-18(17)24)20(27)23-19(14-9-15(26)10-14)16-3-1-2-6-21-16/h1-6,11-12,14-15,19,25-26H,7-10H2,(H,23,27)
InChIKeyIABQGFWZHCOFLK-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.67
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide (PubChem CID 91769261) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
PubChem CID91769261
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESO=C(NC(c1ccccn1)C1CC(O)C1)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C20H22N4O3/c25-8-7-24-12-22-17-11-13(4-5-18(17)24)20(27)23-19(14-9-15(26)10-14)16-3-1-2-6-21-16/h1-6,11-12,14-15,19,25-26H,7-10H2,(H,23,27)
InChIKeyIABQGFWZHCOFLK-UHFFFAOYSA-N
XLogP1.67
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
CID 91794811
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 91759644
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 91785303
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622
1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
CID 126448246
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-indol-1-ylacetamide
CID 91766951
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide (CID 91769261) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide is O=C(NC(c1ccccn1)C1CC(O)C1)c1ccc2c(c1)ncn2CCO.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The InChIKey is IABQGFWZHCOFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-8-7-24-12-22-17-11-13(4-5-18(17)24)20(27)23-19(14-9-15(26)10-14)16-3-1-2-6-21-16/h1-6,11-12,14-15,19,25-26H,7-10H2,(H,23,27).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 91769261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).