4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile

C15H10ClN5 — CID 107810756

IUPAC4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile
SMILESN#Cc1ccc(-n2cncc2-c2cccnc2N)c(Cl)c1
InChIInChI=1S/C15H10ClN5/c16-12-6-10(7-17)3-4-13(12)21-9-19-8-14(21)11-2-1-5-20-15(11)18/h1-6,8-9H,(H2,18,20)
InChIKeyPEZRQYXGRAAZSS-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.04
Rot. Bonds2

About 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile

4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile (PubChem CID 107810756) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile
PubChem CID107810756
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile
SMILESN#Cc1ccc(-n2cncc2-c2cccnc2N)c(Cl)c1
InChIInChI=1S/C15H10ClN5/c16-12-6-10(7-17)3-4-13(12)21-9-19-8-14(21)11-2-1-5-20-15(11)18/h1-6,8-9H,(H2,18,20)
InChIKeyPEZRQYXGRAAZSS-UHFFFAOYSA-N
XLogP3.04
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile
CID 114719737
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114720343
4-[5-(2-aminoethyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 114003670
4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 107810754
3-[3-(3,4-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114717143
3-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720067
3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716022
1-(2-chloro-4-cyanophenyl)pyrrole-2-carbonitrile
CID 114650817
3-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CID 63087366
3-chloro-4-(3-methyl-1,2,4-triazol-1-yl)benzonitrile
CID 166607590
3-chloro-4-(1,2,4-triazol-1-yl)benzonitrile
CID 63086876
3-chloro-4-(1,3-dioxoisoindol-2-yl)benzonitrile
CID 107808280

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile?
The IUPAC name of 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile (CID 107810756) is 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile?
The canonical SMILES for 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile is N#Cc1ccc(-n2cncc2-c2cccnc2N)c(Cl)c1.
What is the InChIKey of 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile?
The InChIKey is PEZRQYXGRAAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-12-6-10(7-17)3-4-13(12)21-9-19-8-14(21)11-2-1-5-20-15(11)18/h1-6,8-9H,(H2,18,20).
What are the key properties of 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile?
4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile has a molecular weight of 295.73 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile is sourced from PubChem (CID 107810756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).