(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone

C14H16N2O2 — CID 82895564

IUPAC(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cncn2C)cc1
InChIInChI=1S/C14H16N2O2/c1-3-8-18-12-6-4-11(5-7-12)14(17)13-9-15-10-16(13)2/h4-7,9-10H,3,8H2,1-2H3
InChIKeySWTOVABLUVGQID-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.44
Rot. Bonds5

About (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone

(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone (PubChem CID 82895564) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
PubChem CID82895564
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cncn2C)cc1
InChIInChI=1S/C14H16N2O2/c1-3-8-18-12-6-4-11(5-7-12)14(17)13-9-15-10-16(13)2/h4-7,9-10H,3,8H2,1-2H3
InChIKeySWTOVABLUVGQID-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
CID 105096952
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86715442
(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
CID 82895758
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
CID 82903609
(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
CID 105097019
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
CID 58981515
4-[2-(5-methylimidazol-1-yl)ethoxy]benzoic acid
CID 82513648
propyl 4-(2-imidazol-1-ylethoxy)benzoate
CID 173412849

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone (CID 82895564) is (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cncn2C)cc1.
What is the InChIKey of (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone?
The InChIKey is SWTOVABLUVGQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-18-12-6-4-11(5-7-12)14(17)13-9-15-10-16(13)2/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone?
(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.44, 5 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-propoxyphenyl)methanone is sourced from PubChem (CID 82895564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).