1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone

C30H31N3O3 — CID 14457647

IUPAC1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone
SMILESCOc1ccc(Cn2cnc3c2CC(CO)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C
InChIInChI=1S/C30H31N3O3/c1-21-15-22(13-14-28(21)36-2)17-32-20-31-26-18-33(25(19-34)16-27(26)32)30(35)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-15,20,25,29,34H,16-19H2,1-2H3
InChIKeyVGJGIWFFVOTPNK-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.33
Rot. Bonds7

About 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone

1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone (PubChem CID 14457647) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone
PubChem CID14457647
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone
SMILESCOc1ccc(Cn2cnc3c2CC(CO)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C
InChIInChI=1S/C30H31N3O3/c1-21-15-22(13-14-28(21)36-2)17-32-20-31-26-18-33(25(19-34)16-27(26)32)30(35)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-15,20,25,29,34H,16-19H2,1-2H3
InChIKeyVGJGIWFFVOTPNK-UHFFFAOYSA-N
XLogP4.33
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone (CID 14457647) is 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone is COc1ccc(Cn2cnc3c2CC(CO)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C.
What is the InChIKey of 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone?
The InChIKey is VGJGIWFFVOTPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-21-15-22(13-14-28(21)36-2)17-32-20-31-26-18-33(25(19-34)16-27(26)32)30(35)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-15,20,25,29,34H,16-19H2,1-2H3.
What are the key properties of 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone?
1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone has a molecular weight of 481.60 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxymethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone is sourced from PubChem (CID 14457647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).