5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid

C22H25N3O2 — CID 18537524

IUPAC5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCNC(=O)O
InChIInChI=1S/C22H25N3O2/c1-17-24-20(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)25(17)16-10-4-9-15-23-22(26)27/h2-3,5-8,11-14,23H,4,9-10,15-16H2,1H3,(H,26,27)
InChIKeyKJLVZVJTXPPBDQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.96
Rot. Bonds8

About 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid

5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid (PubChem CID 18537524) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid.

Molecular Properties

Compound Name5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid
PubChem CID18537524
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCNC(=O)O
InChIInChI=1S/C22H25N3O2/c1-17-24-20(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)25(17)16-10-4-9-15-23-22(26)27/h2-3,5-8,11-14,23H,4,9-10,15-16H2,1H3,(H,26,27)
InChIKeyKJLVZVJTXPPBDQ-UHFFFAOYSA-N
XLogP4.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
CID 20586116
ethyl 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanoate
CID 59926126
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
methyl 6-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]hexanoate
CID 111352368
6-[3,5-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamic acid
CID 66832214
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid?
The IUPAC name of 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid (CID 18537524) is 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid.
What is the SMILES notation for 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid?
The canonical SMILES for 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid is Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCNC(=O)O.
What is the InChIKey of 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid?
The InChIKey is KJLVZVJTXPPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-24-20(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)25(17)16-10-4-9-15-23-22(26)27/h2-3,5-8,11-14,23H,4,9-10,15-16H2,1H3,(H,26,27).
What are the key properties of 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid?
5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid has a molecular weight of 363.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid is sourced from PubChem (CID 18537524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).