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

C27H25N3O — CID 15105590

IUPAC1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCc2c(ncn2Cc2ccccc2)C1
InChIInChI=1S/C27H25N3O/c31-27(26(22-12-6-2-7-13-22)23-14-8-3-9-15-23)29-17-16-25-24(19-29)28-20-30(25)18-21-10-4-1-5-11-21/h1-15,20,26H,16-19H2
InChIKeyYFRVHFQRIPAXCB-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.65
Rot. Bonds5

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

1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone (PubChem CID 15105590) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone
PubChem CID15105590
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCc2c(ncn2Cc2ccccc2)C1
InChIInChI=1S/C27H25N3O/c31-27(26(22-12-6-2-7-13-22)23-14-8-3-9-15-23)29-17-16-25-24(19-29)28-20-30(25)18-21-10-4-1-5-11-21/h1-15,20,26H,16-19H2
InChIKeyYFRVHFQRIPAXCB-UHFFFAOYSA-N
XLogP4.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone (CID 15105590) is 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCc2c(ncn2Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone?
The InChIKey is YFRVHFQRIPAXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-27(26(22-12-6-2-7-13-22)23-14-8-3-9-15-23)29-17-16-25-24(19-29)28-20-30(25)18-21-10-4-1-5-11-21/h1-15,20,26H,16-19H2.
What are the key properties of 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone?
1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone has a molecular weight of 407.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone is sourced from PubChem (CID 15105590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).