3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C22H23N3 — CID 89098096

IUPAC3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccccc2)nc2c1CN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C22H23N3/c1-24-21-17-25(15-8-11-18-9-4-2-5-10-18)16-14-20(21)23-22(24)19-12-6-3-7-13-19/h2-13H,14-17H2,1H3/b11-8+
InChIKeyQKHIKFWGVBKJSJ-DHZHZOJOSA-N
MW329.45 g/mol
LogP4.16
Rot. Bonds4

About 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 89098096) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID89098096
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccccc2)nc2c1CN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C22H23N3/c1-24-21-17-25(15-8-11-18-9-4-2-5-10-18)16-14-20(21)23-22(24)19-12-6-3-7-13-19/h2-13H,14-17H2,1H3/b11-8+
InChIKeyQKHIKFWGVBKJSJ-DHZHZOJOSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(3-methylsulfanylpropyl)-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916451
2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 154740584
2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
CID 4021995
5-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916452
5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916324
[(E)-but-2-en-2-yl] 4-[(3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]benzoate
CID 143944114
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916327
ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium
CID 143944168
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole
CID 52878167
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 89098096) is 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1c(-c2ccccc2)nc2c1CN(C/C=C/c1ccccc1)CC2.
What is the InChIKey of 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is QKHIKFWGVBKJSJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H23N3/c1-24-21-17-25(15-8-11-18-9-4-2-5-10-18)16-14-20(21)23-22(24)19-12-6-3-7-13-19/h2-13H,14-17H2,1H3/b11-8+.
What are the key properties of 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 329.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 89098096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).