1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide

C19H22N6O2 — CID 126448246

IUPAC1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C19H22N6O2/c26-10-9-25-13-22-16-11-14(4-5-17(16)25)18(27)23-15-3-1-8-24(12-15)19-20-6-2-7-21-19/h2,4-7,11,13,15,26H,1,3,8-10,12H2,(H,23,27)/t15-/m0/s1
InChIKeyIJLLLFYQTFYPTR-HNNXBMFYSA-N
MW366.43 g/mol
LogP1.22
Rot. Bonds5

About 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide

1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide (PubChem CID 126448246) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
PubChem CID126448246
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
SMILESO=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C19H22N6O2/c26-10-9-25-13-22-16-11-14(4-5-17(16)25)18(27)23-15-3-1-8-24(12-15)19-20-6-2-7-21-19/h2,4-7,11,13,15,26H,1,3,8-10,12H2,(H,23,27)/t15-/m0/s1
InChIKeyIJLLLFYQTFYPTR-HNNXBMFYSA-N
XLogP1.22
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzamide
CID 42239963
1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
CID 74235390
5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
CID 60794005
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858328
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
CID 91769261
2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 70757066
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168
1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
CID 74232760

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide (CID 126448246) is 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide is O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)ncn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide?
The InChIKey is IJLLLFYQTFYPTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-10-9-25-13-22-16-11-14(4-5-17(16)25)18(27)23-15-3-1-8-24(12-15)19-20-6-2-7-21-19/h2,4-7,11,13,15,26H,1,3,8-10,12H2,(H,23,27)/t15-/m0/s1.
What are the key properties of 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide?
1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 126448246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).