2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile

C11H11N5 — CID 107936690

IUPAC2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccccc2C#N)c(N)n1N
InChIInChI=1S/C11H11N5/c1-7-15-10(11(13)16(7)14)9-5-3-2-4-8(9)6-12/h2-5H,13-14H2,1H3
InChIKeyWQQWOVHMSYGIEI-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.03
Rot. Bonds1

About 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile

2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile (PubChem CID 107936690) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
PubChem CID107936690
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccccc2C#N)c(N)n1N
InChIInChI=1S/C11H11N5/c1-7-15-10(11(13)16(7)14)9-5-3-2-4-8(9)6-12/h2-5H,13-14H2,1H3
InChIKeyWQQWOVHMSYGIEI-UHFFFAOYSA-N
XLogP1.03
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile
CID 107936695
2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile
CID 107936596
2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 107936598
2-(3-amino-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 107936784
4-isoquinolin-4-yl-2-methylimidazole-1,5-diamine
CID 104504831
2-(5-amino-1,3-thiazol-4-yl)benzonitrile
CID 107936704
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
2,3-dimethyl-5-(2-methylphenyl)imidazol-4-amine
CID 62225946
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
CID 64507252
2-[4-[(4-amino-2-methylimidazol-1-yl)methyl]phenyl]benzonitrile
CID 90855660
4-(2-chloro-3,4-dimethoxyphenyl)-2-methylimidazole-1,5-diamine
CID 63632217
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 118979887

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile?
The IUPAC name of 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile (CID 107936690) is 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile?
The canonical SMILES for 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile is Cc1nc(-c2ccccc2C#N)c(N)n1N.
What is the InChIKey of 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile?
The InChIKey is WQQWOVHMSYGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-7-15-10(11(13)16(7)14)9-5-3-2-4-8(9)6-12/h2-5H,13-14H2,1H3.
What are the key properties of 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile?
2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 107936690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).