2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol

C16H14N6O — CID 67495186

IUPAC2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol
SMILESCn1cc(-c2cnc(N)c(-c3nc4c(O)cccc4[nH]3)c2)cn1
InChIInChI=1S/C16H14N6O/c1-22-8-10(7-19-22)9-5-11(15(17)18-6-9)16-20-12-3-2-4-13(23)14(12)21-16/h2-8,23H,1H3,(H2,17,18)(H,20,21)
InChIKeyTVTOJYWKHAYRCE-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.31
Rot. Bonds2

About 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol

2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol (PubChem CID 67495186) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol
PubChem CID67495186
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol
SMILESCn1cc(-c2cnc(N)c(-c3nc4c(O)cccc4[nH]3)c2)cn1
InChIInChI=1S/C16H14N6O/c1-22-8-10(7-19-22)9-5-11(15(17)18-6-9)16-20-12-3-2-4-13(23)14(12)21-16/h2-8,23H,1H3,(H2,17,18)(H,20,21)
InChIKeyTVTOJYWKHAYRCE-UHFFFAOYSA-N
XLogP2.31
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol?
The IUPAC name of 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol (CID 67495186) is 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol.
What is the SMILES notation for 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol?
The canonical SMILES for 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol is Cn1cc(-c2cnc(N)c(-c3nc4c(O)cccc4[nH]3)c2)cn1.
What is the InChIKey of 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol?
The InChIKey is TVTOJYWKHAYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-22-8-10(7-19-22)9-5-11(15(17)18-6-9)16-20-12-3-2-4-13(23)14(12)21-16/h2-8,23H,1H3,(H2,17,18)(H,20,21).
What are the key properties of 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol?
2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol has a molecular weight of 306.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazol-4-ol is sourced from PubChem (CID 67495186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).