5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C24H25N5O — CID 91800594

IUPAC5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2[nH]cnc2C1c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H25N5O/c1-28-14-12-25-22(28)15-29-13-11-20-23(27-17-26-20)24(29)19-9-5-6-10-21(19)30-16-18-7-3-2-4-8-18/h2-10,12,14,17,24H,11,13,15-16H2,1H3,(H,26,27)
InChIKeyFQHHZTOGNOICMY-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.87
Rot. Bonds6

About 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 91800594) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID91800594
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1ccnc1CN1CCc2[nH]cnc2C1c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H25N5O/c1-28-14-12-25-22(28)15-29-13-11-20-23(27-17-26-20)24(29)19-9-5-6-10-21(19)30-16-18-7-3-2-4-8-18/h2-10,12,14,17,24H,11,13,15-16H2,1H3,(H,26,27)
InChIKeyFQHHZTOGNOICMY-UHFFFAOYSA-N
XLogP3.87
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 91800594) is 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1ccnc1CN1CCc2[nH]cnc2C1c1ccccc1OCc1ccccc1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is FQHHZTOGNOICMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-14-12-25-22(28)15-29-13-11-20-23(27-17-26-20)24(29)19-9-5-6-10-21(19)30-16-18-7-3-2-4-8-18/h2-10,12,14,17,24H,11,13,15-16H2,1H3,(H,26,27).
What are the key properties of 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 399.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)methyl]-4-(2-phenylmethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 91800594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).