(2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone

C20H20ClN3O — CID 23460048

IUPAC(2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN=C1Nc1cccc2c1CCCC2
InChIInChI=1S/C20H20ClN3O/c21-17-10-4-3-9-16(17)19(25)24-13-12-22-20(24)23-18-11-5-7-14-6-1-2-8-15(14)18/h3-5,7,9-11H,1-2,6,8,12-13H2,(H,22,23)
InChIKeyMLVCGIHYEYAILP-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.14
Rot. Bonds2

About (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone

(2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 23460048) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID23460048
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN=C1Nc1cccc2c1CCCC2
InChIInChI=1S/C20H20ClN3O/c21-17-10-4-3-9-16(17)19(25)24-13-12-22-20(24)23-18-11-5-7-14-6-1-2-8-15(14)18/h3-5,7,9-11H,1-2,6,8,12-13H2,(H,22,23)
InChIKeyMLVCGIHYEYAILP-UHFFFAOYSA-N
XLogP4.14
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone
CID 23460040
[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 23460073
cyclohexyl-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]methanone
CID 23460012
prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate
CID 23459988
[2-(2,4-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23465952
(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone
CID 122608659
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 112724141
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
CID 13189171
5-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 66218077
5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 103583036
[2-(4-amino-2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-[2-[(dihydroxyamino)oxymethyl]phenyl]methanone
CID 89030737
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone (CID 23460048) is (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccccc1Cl)N1CCN=C1Nc1cccc2c1CCCC2.
What is the InChIKey of (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is MLVCGIHYEYAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-17-10-4-3-9-16(17)19(25)24-13-12-22-20(24)23-18-11-5-7-14-6-1-2-8-15(14)18/h3-5,7,9-11H,1-2,6,8,12-13H2,(H,22,23).
What are the key properties of (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone?
(2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 353.85 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 23460048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).