1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone

C22H19N5O2 — CID 58546930

IUPAC1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2cccc(CO)c2)C1
InChIInChI=1S/C22H19N5O2/c28-13-14-4-3-5-15(10-14)19-20(24-9-8-23-19)16-11-27(12-16)22(29)21-25-17-6-1-2-7-18(17)26-21/h1-10,16,28H,11-13H2,(H,25,26)
InChIKeyKQBFMNYTQVRHSP-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.75
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58546930) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58546930
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2cccc(CO)c2)C1
InChIInChI=1S/C22H19N5O2/c28-13-14-4-3-5-15(10-14)19-20(24-9-8-23-19)16-11-27(12-16)22(29)21-25-17-6-1-2-7-18(17)26-21/h1-10,16,28H,11-13H2,(H,25,26)
InChIKeyKQBFMNYTQVRHSP-UHFFFAOYSA-N
XLogP2.75
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-{4-[7-(3-Hydroxymethyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidin-1-yl)-acetamide
CID 57401364
[3-(aminomethyl)-4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methanol
CID 21985074
[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
CID 42635322
(3-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenyl)methanol
CID 44406595
(1H-benzoimidazol-2-yl)-[3-(3-phenyl-pyridin-2-yl)-azetidin-1-yl]-methanone
CID 54674275
N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 69003787
(R)-2-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
CID 46881530
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-1H-benzo[d]imidazole-2-carboxamide
CID 46881750
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)propanamide
CID 46881753
N-[6-[3-(hydroxymethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49790220
1H-benzimidazol-2-yl-[3-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
CID 54675309
1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 54675387

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone (CID 58546930) is 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2-c2cccc(CO)c2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is KQBFMNYTQVRHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-13-14-4-3-5-15(10-14)19-20(24-9-8-23-19)16-11-27(12-16)22(29)21-25-17-6-1-2-7-18(17)26-21/h1-10,16,28H,11-13H2,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 385.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-[3-(hydroxymethyl)phenyl]pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58546930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).