4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile

C20H15N5S — CID 54358591

IUPAC4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ncc(Cc3nc(-c4ccccn4)cs3)[nH]2)cc1
InChIInChI=1S/C20H15N5S/c21-11-15-6-4-14(5-7-15)9-19-23-12-16(24-19)10-20-25-18(13-26-20)17-3-1-2-8-22-17/h1-8,12-13H,9-10H2,(H,23,24)
InChIKeyUKWIKVHRCHRYEL-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.98
Rot. Bonds5

About 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile

4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile (PubChem CID 54358591) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
PubChem CID54358591
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ncc(Cc3nc(-c4ccccn4)cs3)[nH]2)cc1
InChIInChI=1S/C20H15N5S/c21-11-15-6-4-14(5-7-15)9-19-23-12-16(24-19)10-20-25-18(13-26-20)17-3-1-2-8-22-17/h1-8,12-13H,9-10H2,(H,23,24)
InChIKeyUKWIKVHRCHRYEL-UHFFFAOYSA-N
XLogP3.98
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile with MolForge

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Related Compounds

4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
CID 70341427
4-[(5-ethyl-1H-imidazol-2-yl)methyl]benzonitrile
CID 173306773
3-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 67566320
4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]benzonitrile
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3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
2-[4-[2-[5-[(4-cyanophenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
CID 46881964
4-[[5-[(2,3-dioxoindol-1-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile;hydrochloride
CID 70179897
4-[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzonitrile
CID 62268774
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116828962
4-[[2-[(2-methylphenyl)-piperidin-4-ylmethyl]-1H-imidazol-5-yl]methyl]benzonitrile
CID 70204857
4-[[5-[[benzyl(pyrrolidin-3-yl)amino]methyl]-1H-imidazol-2-yl]methyl]benzonitrile;hydrochloride
CID 70232765

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile (CID 54358591) is 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile is N#Cc1ccc(Cc2ncc(Cc3nc(-c4ccccn4)cs3)[nH]2)cc1.
What is the InChIKey of 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
The InChIKey is UKWIKVHRCHRYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c21-11-15-6-4-14(5-7-15)9-19-23-12-16(24-19)10-20-25-18(13-26-20)17-3-1-2-8-22-17/h1-8,12-13H,9-10H2,(H,23,24).
What are the key properties of 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile has a molecular weight of 357.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile is sourced from PubChem (CID 54358591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).