4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide

C31H34N4O3 — CID 167474015

IUPAC4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cnc(-c2ccc(OCc3cccc(N4CCOCC4)c3)cc2)c1
InChIInChI=1S/C31H34N4O3/c36-31(32-16-5-4-9-25-7-2-1-3-8-25)35-22-30(33-24-35)27-12-14-29(15-13-27)38-23-26-10-6-11-28(21-26)34-17-19-37-20-18-34/h1-3,6-8,10-15,21-22,24H,4-5,9,16-20,23H2,(H,32,36)
InChIKeyJZUQPZNQHFZKEZ-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.55
Rot. Bonds10

About 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide

4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide (PubChem CID 167474015) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide
PubChem CID167474015
Molecular FormulaC31H34N4O3
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC Name4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)n1cnc(-c2ccc(OCc3cccc(N4CCOCC4)c3)cc2)c1
InChIInChI=1S/C31H34N4O3/c36-31(32-16-5-4-9-25-7-2-1-3-8-25)35-22-30(33-24-35)27-12-14-29(15-13-27)38-23-26-10-6-11-28(21-26)34-17-19-37-20-18-34/h1-3,6-8,10-15,21-22,24H,4-5,9,16-20,23H2,(H,32,36)
InChIKeyJZUQPZNQHFZKEZ-UHFFFAOYSA-N
XLogP5.55
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]imidazole-1-carboxamide
CID 167474040
4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-(4-pyrazol-1-ylbutyl)imidazole-1-carboxamide
CID 176736364
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
4-phenylmethoxy-N-[12-[16-[12-[(4-phenylmethoxybenzoyl)amino]dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]dodecyl]benzamide
CID 102394555
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55970132
2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 11518860
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide
CID 166510499
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21260549

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide?
The IUPAC name of 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide (CID 167474015) is 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide.
What is the SMILES notation for 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide?
The canonical SMILES for 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide is O=C(NCCCCc1ccccc1)n1cnc(-c2ccc(OCc3cccc(N4CCOCC4)c3)cc2)c1.
What is the InChIKey of 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide?
The InChIKey is JZUQPZNQHFZKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3/c36-31(32-16-5-4-9-25-7-2-1-3-8-25)35-22-30(33-24-35)27-12-14-29(15-13-27)38-23-26-10-6-11-28(21-26)34-17-19-37-20-18-34/h1-3,6-8,10-15,21-22,24H,4-5,9,16-20,23H2,(H,32,36).
What are the key properties of 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide?
4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide is sourced from PubChem (CID 167474015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).