5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine

C21H21N3 — CID 143960378

IUPAC5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine
SMILESC=C(C)Nc1ccc2c(c1)CC1(C2)N=C(c2ccccc2)NC1=C
InChIInChI=1S/C21H21N3/c1-14(2)22-19-10-9-17-12-21(13-18(17)11-19)15(3)23-20(24-21)16-7-5-4-6-8-16/h4-11,22H,1,3,12-13H2,2H3,(H,23,24)
InChIKeyOHEIIORVHBFTLG-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.03
Rot. Bonds3

About 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine

5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine (PubChem CID 143960378) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine.

Molecular Properties

Compound Name5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine
PubChem CID143960378
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine
SMILESC=C(C)Nc1ccc2c(c1)CC1(C2)N=C(c2ccccc2)NC1=C
InChIInChI=1S/C21H21N3/c1-14(2)22-19-10-9-17-12-21(13-18(17)11-19)15(3)23-20(24-21)16-7-5-4-6-8-16/h4-11,22H,1,3,12-13H2,2H3,(H,23,24)
InChIKeyOHEIIORVHBFTLG-UHFFFAOYSA-N
XLogP4.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 45254663
1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
CID 134219544
N-(1'-methyl-4'-methylidene-2'-oxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-oxoacetamide
CID 142942900
3-(prop-1-en-2-ylamino)phenol
CID 143950523
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
CID 144591931
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
N-(4-phenylphenyl)acetamide
CID 19998
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate
CID 166326265
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
1-ethyl-4-phenylimidazole;formaldehyde;5-(methylamino)spiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
CID 142942886

Frequently Asked Questions

What is the IUPAC name of 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine?
The IUPAC name of 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine (CID 143960378) is 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine.
What is the SMILES notation for 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine?
The canonical SMILES for 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine is C=C(C)Nc1ccc2c(c1)CC1(C2)N=C(c2ccccc2)NC1=C.
What is the InChIKey of 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine?
The InChIKey is OHEIIORVHBFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-14(2)22-19-10-9-17-12-21(13-18(17)11-19)15(3)23-20(24-21)16-7-5-4-6-8-16/h4-11,22H,1,3,12-13H2,2H3,(H,23,24).
What are the key properties of 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine?
5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine has a molecular weight of 315.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine is sourced from PubChem (CID 143960378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).