3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide

C32H35ClN4O3 — CID 18523549

IUPAC3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide
SMILESO=C(NCC(O)CO)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C32H35ClN4O3/c33-27-13-11-24(12-14-27)20-37-23-35-29(30(37)31(40)34-19-28(39)22-38)21-36-17-15-32(16-18-36,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,23,28,38-39H,15-22H2,(H,34,40)
InChIKeyJFBDURMXFLLUFW-UHFFFAOYSA-N
MW559.11 g/mol
LogP4.25
Rot. Bonds10

About 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide

3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide (PubChem CID 18523549) has the molecular formula C32H35ClN4O3 and a molecular weight of 559.11 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide
PubChem CID18523549
Molecular FormulaC32H35ClN4O3
Molecular Weight559.11 g/mol
Exact Mass558.24
IUPAC Name3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide
SMILESO=C(NCC(O)CO)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C32H35ClN4O3/c33-27-13-11-24(12-14-27)20-37-23-35-29(30(37)31(40)34-19-28(39)22-38)21-36-17-15-32(16-18-36,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,23,28,38-39H,15-22H2,(H,34,40)
InChIKeyJFBDURMXFLLUFW-UHFFFAOYSA-N
XLogP4.25
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.11
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide (CID 18523549) is 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide is O=C(NCC(O)CO)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide?
The InChIKey is JFBDURMXFLLUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN4O3/c33-27-13-11-24(12-14-27)20-37-23-35-29(30(37)31(40)34-19-28(39)22-38)21-36-17-15-32(16-18-36,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,23,28,38-39H,15-22H2,(H,34,40).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide?
3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide has a molecular weight of 559.11 g/mol, XLogP of 4.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-(2,3-dihydroxypropyl)-5-[(4,4-diphenylpiperidin-1-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 18523549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).