[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone

C15H19N3O — CID 116577736

IUPAC[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H19N3O/c1-2-10-18-11-9-17-15(18)14(19)13-5-3-12(4-6-13)7-8-16/h3-6,9,11H,2,7-8,10,16H2,1H3
InChIKeyUCMDGBXUILPZCK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds6

About [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone

[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone (PubChem CID 116577736) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
PubChem CID116577736
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H19N3O/c1-2-10-18-11-9-17-15(18)14(19)13-5-3-12(4-6-13)7-8-16/h3-6,9,11H,2,7-8,10,16H2,1H3
InChIKeyUCMDGBXUILPZCK-UHFFFAOYSA-N
XLogP2.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 116605540
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanone
CID 114822724
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
CID 105101200
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127
(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
CID 63977108
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114
1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid
CID 69295233
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone (CID 116577736) is [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1ccc(CCN)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone?
The InChIKey is UCMDGBXUILPZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-10-18-11-9-17-15(18)14(19)13-5-3-12(4-6-13)7-8-16/h3-6,9,11H,2,7-8,10,16H2,1H3.
What are the key properties of [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone?
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 116577736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).