(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone

C14H16N2O2 — CID 82896310

IUPAC(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cncn2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10(2)18-12-6-4-11(5-7-12)14(17)13-8-15-9-16(13)3/h4-10H,1-3H3
InChIKeyLZHZYUVHJMFAKD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.44
Rot. Bonds4

About (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone

(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 82896310) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID82896310
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cncn2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10(2)18-12-6-4-11(5-7-12)14(17)13-8-15-9-16(13)3/h4-10H,1-3H3
InChIKeyLZHZYUVHJMFAKD-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
CID 82895564
(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone
CID 71711772
(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
CID 82895758
(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
CID 105097408
(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 102811706
(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86715442
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
(3-methylimidazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 82895472
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 82903741
(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone
CID 105097483
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone (CID 82896310) is (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)c2cncn2C)cc1.
What is the InChIKey of (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is LZHZYUVHJMFAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)18-12-6-4-11(5-7-12)14(17)13-8-15-9-16(13)3/h4-10H,1-3H3.
What are the key properties of (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 82896310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).