2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid

C19H19N3O2 — CID 68888401

IUPAC2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
SMILESCc1[nH]c(CCNC(=O)O)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-18(22-17(21-13)11-12-20-19(23)24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyAEDDSSQWANORFS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.86
Rot. Bonds5

About 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid

2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid (PubChem CID 68888401) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
PubChem CID68888401
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
SMILESCc1[nH]c(CCNC(=O)O)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-18(22-17(21-13)11-12-20-19(23)24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyAEDDSSQWANORFS-UHFFFAOYSA-N
XLogP3.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
tert-butyl N-[2-[5-methyl-4-(1-methylpyridin-1-ium-3-yl)-1H-imidazol-2-yl]ethyl]carbamate
CID 123984153
N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60861436
N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60849942
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849760
3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82478385
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
CID 141255877

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid (CID 68888401) is 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid is Cc1[nH]c(CCNC(=O)O)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid?
The InChIKey is AEDDSSQWANORFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-18(22-17(21-13)11-12-20-19(23)24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid?
2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid has a molecular weight of 321.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 68888401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).