[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone

C22H25N3O — CID 23460073

IUPAC[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN=C2Nc2cccc3c2CCC3)cc1
InChIInChI=1S/C22H25N3O/c1-15(2)16-9-11-18(12-10-16)21(26)25-14-13-23-22(25)24-20-8-4-6-17-5-3-7-19(17)20/h4,6,8-12,15H,3,5,7,13-14H2,1-2H3,(H,23,24)
InChIKeyFIMUFHZVYOVBPI-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.22
Rot. Bonds3

About [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone

[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 23460073) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID23460073
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN=C2Nc2cccc3c2CCC3)cc1
InChIInChI=1S/C22H25N3O/c1-15(2)16-9-11-18(12-10-16)21(26)25-14-13-23-22(25)24-20-8-4-6-17-5-3-7-19(17)20/h4,6,8-12,15H,3,5,7,13-14H2,1-2H3,(H,23,24)
InChIKeyFIMUFHZVYOVBPI-UHFFFAOYSA-N
XLogP4.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-4,5-dihydroimidazol-1-yl]methanone
CID 23460048
cyclohexyl-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]methanone
CID 23460012
2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone
CID 23460040
prop-2-enyl 2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazole-1-carboxylate
CID 23459988
2-(4-propan-2-ylphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1122227
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 63526781
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 112724141
4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-8-yl)benzamide
CID 43823002
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 23460034
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone (CID 23460073) is [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN=C2Nc2cccc3c2CCC3)cc1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is FIMUFHZVYOVBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(2)16-9-11-18(12-10-16)21(26)25-14-13-23-22(25)24-20-8-4-6-17-5-3-7-19(17)20/h4,6,8-12,15H,3,5,7,13-14H2,1-2H3,(H,23,24).
What are the key properties of [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone?
[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 347.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 23460073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).