2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile

C31H25ClFN7O2 — CID 146206628

IUPAC2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile
SMILESCOc1nc(-c2ccc(F)c(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3C#N)c2Cl)ccc1C1=NCCN1
InChIInChI=1S/C31H25ClFN7O2/c1-41-30-20(28-35-12-13-36-28)7-10-24(39-30)17-4-3-5-18(22(17)16-34)26-23(33)9-6-19(27(26)32)25-11-8-21(31(40-25)42-2)29-37-14-15-38-29/h3-11H,12-15H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyQBMIBRCFSIGVHU-UHFFFAOYSA-N
MW582.04 g/mol
LogP4.86
Rot. Bonds7

About 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile

2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile (PubChem CID 146206628) has the molecular formula C31H25ClFN7O2 and a molecular weight of 582.04 g/mol. Its IUPAC name is 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile
PubChem CID146206628
Molecular FormulaC31H25ClFN7O2
Molecular Weight582.04 g/mol
Exact Mass581.17
IUPAC Name2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile
SMILESCOc1nc(-c2ccc(F)c(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3C#N)c2Cl)ccc1C1=NCCN1
InChIInChI=1S/C31H25ClFN7O2/c1-41-30-20(28-35-12-13-36-28)7-10-24(39-30)17-4-3-5-18(22(17)16-34)26-23(33)9-6-19(27(26)32)25-11-8-21(31(40-25)42-2)29-37-14-15-38-29/h3-11H,12-15H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyQBMIBRCFSIGVHU-UHFFFAOYSA-N
XLogP4.86
TPSA116.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.04
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[2-cyano-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]-6-[5-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-2-pyridinyl]benzonitrile
CID 159164135
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-phenylpyridine
CID 166071235
3-chloro-4-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methoxyphenyl]pyridine
CID 170696320
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxy-6-(3-propan-2-ylphenyl)pyridine
CID 165380558
[(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol
CID 146206993
2-(2,3-dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 110540705
8-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]oxy]quinoline
CID 82250675
2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
CID 82249804
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
6-(2-fluorophenyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 165017250
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 171378845
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile?
The IUPAC name of 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile (CID 146206628) is 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile is COc1nc(-c2ccc(F)c(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3C#N)c2Cl)ccc1C1=NCCN1.
What is the InChIKey of 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile?
The InChIKey is QBMIBRCFSIGVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClFN7O2/c1-41-30-20(28-35-12-13-36-28)7-10-24(39-30)17-4-3-5-18(22(17)16-34)26-23(33)9-6-19(27(26)32)25-11-8-21(31(40-25)42-2)29-37-14-15-38-29/h3-11H,12-15H2,1-2H3,(H,35,36)(H,37,38).
What are the key properties of 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile?
2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile has a molecular weight of 582.04 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]-6-fluorophenyl]-6-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]benzonitrile is sourced from PubChem (CID 146206628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).