[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen

C18H19N5O — CID 158542587

IUPAC[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen
SMILESNc1ncc(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H]
InChIInChI=1S/C18H15N5O.2H2/c19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24;;/h1-9,24H,10H2,(H2,19,20)(H,22,23);2*1H
InChIKeyHOSBKWHVLLCIRS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds3

About [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen

[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen (PubChem CID 158542587) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen.

Molecular Properties

Compound Name[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen
PubChem CID158542587
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen
SMILESNc1ncc(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H]
InChIInChI=1S/C18H15N5O.2H2/c19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24;;/h1-9,24H,10H2,(H2,19,20)(H,22,23);2*1H
InChIKeyHOSBKWHVLLCIRS-UHFFFAOYSA-N
XLogP3.25
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158278038
3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
CID 141267876
3-amino-1-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;molecular hydrogen
CID 160531501
4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-4-oxobutanoic acid
CID 91006690
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;molecular hydrogen
CID 161401655
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclohexylmethanone;molecular hydrogen
CID 159496567
3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745574
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
CID 66725297
[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162227855
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532

Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen?
The IUPAC name of [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen (CID 158542587) is [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen.
What is the SMILES notation for [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen?
The canonical SMILES for [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen is Nc1ncc(-c2ccccc2CO)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].
What is the InChIKey of [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen?
The InChIKey is HOSBKWHVLLCIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.2H2/c19-17-16(18-22-13-7-3-4-8-14(13)23-18)21-15(9-20-17)12-6-2-1-5-11(12)10-24;;/h1-9,24H,10H2,(H2,19,20)(H,22,23);2*1H.
What are the key properties of [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen?
[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen has a molecular weight of 321.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;molecular hydrogen is sourced from PubChem (CID 158542587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).