2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile

C14H14N6 — CID 165416401

IUPAC2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile
SMILESCn1cc(Cc2cc(C#N)c3c(c2)nc(N)n3C)cn1
InChIInChI=1S/C14H14N6/c1-19-8-10(7-17-19)3-9-4-11(6-15)13-12(5-9)18-14(16)20(13)2/h4-5,7-8H,3H2,1-2H3,(H2,16,18)
InChIKeyCYWVNWTVUWGEAW-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.35
Rot. Bonds2

About 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile

2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile (PubChem CID 165416401) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile
PubChem CID165416401
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile
SMILESCn1cc(Cc2cc(C#N)c3c(c2)nc(N)n3C)cn1
InChIInChI=1S/C14H14N6/c1-19-8-10(7-17-19)3-9-4-11(6-15)13-12(5-9)18-14(16)20(13)2/h4-5,7-8H,3H2,1-2H3,(H2,16,18)
InChIKeyCYWVNWTVUWGEAW-UHFFFAOYSA-N
XLogP1.35
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile (CID 165416401) is 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile is Cn1cc(Cc2cc(C#N)c3c(c2)nc(N)n3C)cn1.
What is the InChIKey of 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile?
The InChIKey is CYWVNWTVUWGEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-19-8-10(7-17-19)3-9-4-11(6-15)13-12(5-9)18-14(16)20(13)2/h4-5,7-8H,3H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile?
2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile has a molecular weight of 266.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 165416401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).