3-(1,5-diaminoimidazol-4-yl)benzonitrile

C10H9N5 — CID 62481562

IUPAC3-(1,5-diaminoimidazol-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2ncn(N)c2N)c1
InChIInChI=1S/C10H9N5/c11-5-7-2-1-3-8(4-7)9-10(12)15(13)6-14-9/h1-4,6H,12-13H2
InChIKeyDXOYXPGPOJYYFC-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.72
Rot. Bonds1

About 3-(1,5-diaminoimidazol-4-yl)benzonitrile

3-(1,5-diaminoimidazol-4-yl)benzonitrile (PubChem CID 62481562) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(1,5-diaminoimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(1,5-diaminoimidazol-4-yl)benzonitrile
PubChem CID62481562
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3-(1,5-diaminoimidazol-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2ncn(N)c2N)c1
InChIInChI=1S/C10H9N5/c11-5-7-2-1-3-8(4-7)9-10(12)15(13)6-14-9/h1-4,6H,12-13H2
InChIKeyDXOYXPGPOJYYFC-UHFFFAOYSA-N
XLogP0.72
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 79730248
3-[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]benzonitrile
CID 83203714
3-(6-amino-4-methyl-3-pyridinyl)benzonitrile
CID 79020234
3-[5-(3,5-diamino-1,2,4-triazol-1-yl)-2-pyridinyl]benzonitrile
CID 66694907
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
CID 82556414
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 62226177
3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile
CID 82389497
4-(2,6-difluorophenyl)imidazole-1,5-diamine
CID 62481561
3-(2,6-dibromophenyl)benzonitrile
CID 153317641
3-(2-amino-4-fluorophenyl)benzonitrile
CID 107626378

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-diaminoimidazol-4-yl)benzonitrile?
The IUPAC name of 3-(1,5-diaminoimidazol-4-yl)benzonitrile (CID 62481562) is 3-(1,5-diaminoimidazol-4-yl)benzonitrile.
What is the SMILES notation for 3-(1,5-diaminoimidazol-4-yl)benzonitrile?
The canonical SMILES for 3-(1,5-diaminoimidazol-4-yl)benzonitrile is N#Cc1cccc(-c2ncn(N)c2N)c1.
What is the InChIKey of 3-(1,5-diaminoimidazol-4-yl)benzonitrile?
The InChIKey is DXOYXPGPOJYYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-5-7-2-1-3-8(4-7)9-10(12)15(13)6-14-9/h1-4,6H,12-13H2.
What are the key properties of 3-(1,5-diaminoimidazol-4-yl)benzonitrile?
3-(1,5-diaminoimidazol-4-yl)benzonitrile has a molecular weight of 199.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-diaminoimidazol-4-yl)benzonitrile is sourced from PubChem (CID 62481562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).