1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol

C18H13ClN4O2 — CID 143998201

IUPAC1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol
SMILESOC(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H13ClN4O2/c19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17/h1-10,15,24H,(H,22,23)
InChIKeyVZVFOEUITPMSOE-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.88
Rot. Bonds4

About 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol

1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol (PubChem CID 143998201) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol
PubChem CID143998201
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol
SMILESOC(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H13ClN4O2/c19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17/h1-10,15,24H,(H,22,23)
InChIKeyVZVFOEUITPMSOE-UHFFFAOYSA-N
XLogP3.88
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol;(R)-1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methanol
CID 160693208
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 59351312
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
1H-benzimidazol-2-yl-[4-[3-(2-methoxy-3-pyridinyl)pyrazin-1-ium-2-yl]oxyphenyl]methanol
CID 91802043
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol
CID 91928092
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
(4-chlorophenyl)-(3H-imidazo[4,5-c]quinolin-2-yl)methanol
CID 19804708
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
(2S,3S)-3-(1H-benzimidazol-2-yl)-1,1,1-trichloro-3-phenylpropan-2-ol
CID 1278594
[4-(3-chloropyrazin-2-yl)oxyphenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
CID 46207941

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol?
The IUPAC name of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol (CID 143998201) is 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol is OC(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol?
The InChIKey is VZVFOEUITPMSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-16-18(21-10-9-20-16)25-12-7-5-11(6-8-12)15(24)17-22-13-3-1-2-4-14(13)23-17/h1-10,15,24H,(H,22,23).
What are the key properties of 1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol?
1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol has a molecular weight of 352.78 g/mol, XLogP of 3.88, 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-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol is sourced from PubChem (CID 143998201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).