(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone

C15H19N3O2 — CID 53037791

IUPAC(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2N2CCCC2)c1
InChIInChI=1S/C15H19N3O2/c1-20-13-6-4-5-12(11-13)14(19)18-10-7-16-15(18)17-8-2-3-9-17/h4-6,11H,2-3,7-10H2,1H3
InChIKeyQIIVAFHROSEENY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds2

About (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone

(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 53037791) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID53037791
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2N2CCCC2)c1
InChIInChI=1S/C15H19N3O2/c1-20-13-6-4-5-12(11-13)14(19)18-10-7-16-15(18)17-8-2-3-9-17/h4-6,11H,2-3,7-10H2,1H3
InChIKeyQIIVAFHROSEENY-UHFFFAOYSA-N
XLogP1.60
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53200197
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110710958
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 86797191
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
CID 83210260

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone (CID 53037791) is (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone is COc1cccc(C(=O)N2CCN=C2N2CCCC2)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is QIIVAFHROSEENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-6-4-5-12(11-13)14(19)18-10-7-16-15(18)17-8-2-3-9-17/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 53037791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).