2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile

C14H14N6 — CID 106035643

IUPAC2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
SMILESCc1c(Cn2c(N)nc3ccc(C#N)cc32)cnn1C
InChIInChI=1S/C14H14N6/c1-9-11(7-17-19(9)2)8-20-13-5-10(6-15)3-4-12(13)18-14(20)16/h3-5,7H,8H2,1-2H3,(H2,16,18)
InChIKeyNYLQWDWYOQHHME-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.58
Rot. Bonds2

About 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile

2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile (PubChem CID 106035643) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
PubChem CID106035643
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
SMILESCc1c(Cn2c(N)nc3ccc(C#N)cc32)cnn1C
InChIInChI=1S/C14H14N6/c1-9-11(7-17-19(9)2)8-20-13-5-10(6-15)3-4-12(13)18-14(20)16/h3-5,7H,8H2,1-2H3,(H2,16,18)
InChIKeyNYLQWDWYOQHHME-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106035619
2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
CID 104715124
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 104715041
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 106035582
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106035579
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
CID 104714921
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106039427
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile (CID 106035643) is 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile is Cc1c(Cn2c(N)nc3ccc(C#N)cc32)cnn1C.
What is the InChIKey of 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is NYLQWDWYOQHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-11(7-17-19(9)2)8-20-13-5-10(6-15)3-4-12(13)18-14(20)16/h3-5,7H,8H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile?
2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 266.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 106035643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).