2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide

C43H47N3O2 — CID 142043801

IUPAC2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide
SMILESCC(C)NC(=O)C1C(Cc2ccc(OCC3C=CC=CC3)cc2)N=C(C(c2ccccc2)c2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C43H47N3O2/c1-32(2)44-43(47)41-39(30-34-25-27-38(28-26-34)48-31-35-18-9-4-10-19-35)45-42(46(41)29-15-20-33-16-7-3-8-17-33)40(36-21-11-5-12-22-36)37-23-13-6-14-24-37/h3-14,16-18,21-28,32,35,39-41H,15,19-20,29-31H2,1-2H3,(H,44,47)
InChIKeyAXIFWFNPQNXKQX-UHFFFAOYSA-N
MW637.87 g/mol
LogP8.18
Rot. Bonds14

About 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide

2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide (PubChem CID 142043801) has the molecular formula C43H47N3O2 and a molecular weight of 637.87 g/mol. Its IUPAC name is 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide
PubChem CID142043801
Molecular FormulaC43H47N3O2
Molecular Weight637.87 g/mol
Exact Mass637.37
IUPAC Name2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide
SMILESCC(C)NC(=O)C1C(Cc2ccc(OCC3C=CC=CC3)cc2)N=C(C(c2ccccc2)c2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C43H47N3O2/c1-32(2)44-43(47)41-39(30-34-25-27-38(28-26-34)48-31-35-18-9-4-10-19-35)45-42(46(41)29-15-20-33-16-7-3-8-17-33)40(36-21-11-5-12-22-36)37-23-13-6-14-24-37/h3-14,16-18,21-28,32,35,39-41H,15,19-20,29-31H2,1-2H3,(H,44,47)
InChIKeyAXIFWFNPQNXKQX-UHFFFAOYSA-N
XLogP8.18
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.87
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide with MolForge

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Related Compounds

N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide
CID 18338805
2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide
CID 15426219
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
methyl 2-[(3S,5S)-5-[[4-[2-(diaminomethylideneamino)ethyl]phenoxy]methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate
CID 22863664
3-methoxy-N-[(1S)-1-[7-(3-phenylpropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
CID 42332478
2-[2-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]-6-(methoxymethyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 143475117
tert-butyl N-[(2R)-1-oxo-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]propan-2-yl]carbamate
CID 52854706
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
methyl 2-[(3S,5S)-5-[(4-aminophenoxy)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate
CID 70045419
2-(4-butylphenoxy)-N-methyl-1-phenylethanamine
CID 115492447
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
2-[(3S,5S)-5-[[4-(4-carbamoylphenyl)phenoxy]methyl]-3-methyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid
CID 57246711

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide (CID 142043801) is 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide is CC(C)NC(=O)C1C(Cc2ccc(OCC3C=CC=CC3)cc2)N=C(C(c2ccccc2)c2ccccc2)N1CCCc1ccccc1.
What is the InChIKey of 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide?
The InChIKey is AXIFWFNPQNXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N3O2/c1-32(2)44-43(47)41-39(30-34-25-27-38(28-26-34)48-31-35-18-9-4-10-19-35)45-42(46(41)29-15-20-33-16-7-3-8-17-33)40(36-21-11-5-12-22-36)37-23-13-6-14-24-37/h3-14,16-18,21-28,32,35,39-41H,15,19-20,29-31H2,1-2H3,(H,44,47).
What are the key properties of 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide?
2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide has a molecular weight of 637.87 g/mol, XLogP of 8.18, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 142043801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).