5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H22N4 — CID 56720073

IUPAC5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1ccccc1CN1CCc2[nH]cnc2C1c1cccnc1
InChIInChI=1S/C20H22N4/c1-2-15-6-3-4-7-17(15)13-24-11-9-18-19(23-14-22-18)20(24)16-8-5-10-21-12-16/h3-8,10,12,14,20H,2,9,11,13H2,1H3,(H,22,23)
InChIKeyALDDRNGBFNIUHT-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.51
Rot. Bonds4

About 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56720073) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56720073
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1ccccc1CN1CCc2[nH]cnc2C1c1cccnc1
InChIInChI=1S/C20H22N4/c1-2-15-6-3-4-7-17(15)13-24-11-9-18-19(23-14-22-18)20(24)16-8-5-10-21-12-16/h3-8,10,12,14,20H,2,9,11,13H2,1H3,(H,22,23)
InChIKeyALDDRNGBFNIUHT-UHFFFAOYSA-N
XLogP3.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 134695544
1-[4-[(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]thiophen-2-yl]ethanone
CID 77084224
(4R)-5-[(1-ethylindol-6-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 99946292
5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 50968286
(4R)-5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95203763
5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;formic acid
CID 154913211
(3-ethyl-1H-indol-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50961516
4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56863784
5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 131888956
2-tert-butyl-6-[[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 95208575
2-tert-butyl-6-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56714643

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56720073) is 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1ccccc1CN1CCc2[nH]cnc2C1c1cccnc1.
What is the InChIKey of 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ALDDRNGBFNIUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-15-6-3-4-7-17(15)13-24-11-9-18-19(23-14-22-18)20(24)16-8-5-10-21-12-16/h3-8,10,12,14,20H,2,9,11,13H2,1H3,(H,22,23).
What are the key properties of 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 318.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56720073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).