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

C19H19N3O — CID 23460034

IUPAC[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1NC1CCc2ccccc21
InChIInChI=1S/C19H19N3O/c23-18(15-7-2-1-3-8-15)22-13-12-20-19(22)21-17-11-10-14-6-4-5-9-16(14)17/h1-9,17H,10-13H2,(H,20,21)
InChIKeySTWPQMMPUXKPIY-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.78
Rot. Bonds2

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

[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone (PubChem CID 23460034) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
PubChem CID23460034
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1NC1CCc2ccccc21
InChIInChI=1S/C19H19N3O/c23-18(15-7-2-1-3-8-15)22-13-12-20-19(22)21-17-11-10-14-6-4-5-9-16(14)17/h1-9,17H,10-13H2,(H,20,21)
InChIKeySTWPQMMPUXKPIY-UHFFFAOYSA-N
XLogP2.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 59848156
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
benzoic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53379225
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]-phenylmethanone
CID 170694561
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
(6S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 178138008
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
CID 169431797
CID 169431797
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
3-(2,3-dihydro-1H-inden-1-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069260

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The IUPAC name of [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone (CID 23460034) is [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN=C1NC1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The InChIKey is STWPQMMPUXKPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-18(15-7-2-1-3-8-15)22-13-12-20-19(22)21-17-11-10-14-6-4-5-9-16(14)17/h1-9,17H,10-13H2,(H,20,21).
What are the key properties of [2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
[2-(2,3-dihydro-1H-inden-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone has a molecular weight of 305.38 g/mol, XLogP of 2.78, 2 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-1-ylamino)-4,5-dihydroimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 23460034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).