1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone

C22H23N3O2 — CID 14403823

IUPAC1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1Cc2ncn(Cc3ccccc3)c2CC1CO
InChIInChI=1S/C22H23N3O2/c26-15-19-12-21-20(23-16-24(21)13-18-9-5-2-6-10-18)14-25(19)22(27)11-17-7-3-1-4-8-17/h1-10,16,19,26H,11-15H2
InChIKeyIASSYGMCRYZWQG-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.42
Rot. Bonds5

About 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone

1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone (PubChem CID 14403823) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone
PubChem CID14403823
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1Cc2ncn(Cc3ccccc3)c2CC1CO
InChIInChI=1S/C22H23N3O2/c26-15-19-12-21-20(23-16-24(21)13-18-9-5-2-6-10-18)14-25(19)22(27)11-17-7-3-1-4-8-17/h1-10,16,19,26H,11-15H2
InChIKeyIASSYGMCRYZWQG-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-[2-(1-adamantyl)ethyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403488
(6S)-1-[(3,4-dimethylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403562
(6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403564
(6S)-1-[(4-aminophenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403573
(6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403647
(6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403649
(6S)-1-[(3-bromophenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403655
1-benzyl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403766
1-benzyl-5-(2-phenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403785
(6S)-5-(2,2-diphenylacetyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14457550
(6S)-1-[[4-(dimethylamino)phenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403579
(6S)-5-(2,2-diphenylacetyl)-1-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403586

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone?
The IUPAC name of 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone (CID 14403823) is 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1Cc2ncn(Cc3ccccc3)c2CC1CO.
What is the InChIKey of 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone?
The InChIKey is IASSYGMCRYZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-15-19-12-21-20(23-16-24(21)13-18-9-5-2-6-10-18)14-25(19)22(27)11-17-7-3-1-4-8-17/h1-10,16,19,26H,11-15H2.
What are the key properties of 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone?
1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone has a molecular weight of 361.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone is sourced from PubChem (CID 14403823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).