1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide

C23H27N3O2 — CID 22628453

IUPAC1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(CCCCc2ccccc2)OCc2ccccc2)cn1
InChIInChI=1S/C23H27N3O2/c24-23(27)22-16-26(18-25-22)15-21(28-17-20-12-5-2-6-13-20)14-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,16,18,21H,7-8,11,14-15,17H2,(H2,24,27)
InChIKeyHOKGXAHRSAWXHX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.98
Rot. Bonds11

About 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide

1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide (PubChem CID 22628453) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide
PubChem CID22628453
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(CCCCc2ccccc2)OCc2ccccc2)cn1
InChIInChI=1S/C23H27N3O2/c24-23(27)22-16-26(18-25-22)15-21(28-17-20-12-5-2-6-13-20)14-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,16,18,21H,7-8,11,14-15,17H2,(H2,24,27)
InChIKeyHOKGXAHRSAWXHX-UHFFFAOYSA-N
XLogP3.98
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-5-[2-(3-phenylpropoxy)phenyl]pentyl]imidazole-4-carboxamide
CID 22628514
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
1-[2-hydroxy-5-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
CID 22391673
1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide
CID 57324110
1-[2-hydroxy-5-[2-[(4-thiophen-2-ylphenyl)methoxy]phenyl]pentyl]imidazole-4-carboxamide
CID 22391690
1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
CID 22391699
1-[2-hydroxy-5-[2-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
CID 22391727
2-hydroxy-8-phenyloctanamide
CID 66822616
2-hydroxy-16-phenylmethoxyoctadecanoic acid
CID 101300485
N-(diaminomethylidene)-1-(1-hydroxy-4-phenylbutyl)imidazole-4-carboxamide
CID 22628535
2-hydroxy-15-phenylmethoxyoctadecanoic acid
CID 101300451

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide?
The IUPAC name of 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide (CID 22628453) is 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide is NC(=O)c1cn(CC(CCCCc2ccccc2)OCc2ccccc2)cn1.
What is the InChIKey of 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide?
The InChIKey is HOKGXAHRSAWXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c24-23(27)22-16-26(18-25-22)15-21(28-17-20-12-5-2-6-13-20)14-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,16,18,21H,7-8,11,14-15,17H2,(H2,24,27).
What are the key properties of 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide?
1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide is sourced from PubChem (CID 22628453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).