2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid

C16H20N2O2 — CID 82306414

IUPAC2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
SMILESCc1[nH]c(Cc2ccc(C(C)C)cc2)nc1CC(=O)O
InChIInChI=1S/C16H20N2O2/c1-10(2)13-6-4-12(5-7-13)8-15-17-11(3)14(18-15)9-16(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFUYDHXOTBFWDBH-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.06
Rot. Bonds5

About 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid

2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid (PubChem CID 82306414) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
PubChem CID82306414
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
SMILESCc1[nH]c(Cc2ccc(C(C)C)cc2)nc1CC(=O)O
InChIInChI=1S/C16H20N2O2/c1-10(2)13-6-4-12(5-7-13)8-15-17-11(3)14(18-15)9-16(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyFUYDHXOTBFWDBH-UHFFFAOYSA-N
XLogP3.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82294163
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233
methyl 2-[(4-propan-2-ylphenyl)methyl]-3H-benzimidazole-5-carboxylate
CID 145226546
2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one
CID 135993647
5-methyl-4-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole
CID 175718043
4-[[5-carbamoyl-4-[(4-propan-2-ylphenyl)carbamoylamino]-1H-imidazol-2-yl]methyl]benzoic acid
CID 59508417
2-[2-[(4-aminophenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 19797542
N,N-dimethyl-1-[5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanamine;2,2,2-trifluoroacetic acid
CID 167803896
2-[6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]acetic acid
CID 82421430
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 39241972
2-[2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 53214781
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid (CID 82306414) is 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid is Cc1[nH]c(Cc2ccc(C(C)C)cc2)nc1CC(=O)O.
What is the InChIKey of 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
The InChIKey is FUYDHXOTBFWDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)13-6-4-12(5-7-13)8-15-17-11(3)14(18-15)9-16(19)20/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid?
2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-4-yl]acetic acid is sourced from PubChem (CID 82306414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).