4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole

C27H36N2 — CID 123676105

IUPAC4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole
SMILESC=CC=c1c(=C)ncn1C1C=CC2C3CC=C4CC(C)CCC4(C)C3CCC21C
InChIInChI=1S/C27H36N2/c1-6-7-24-19(3)28-17-29(24)25-11-10-22-21-9-8-20-16-18(2)12-14-26(20,4)23(21)13-15-27(22,25)5/h6-8,10-11,17-18,21-23,25H,1,3,9,12-16H2,2,4-5H3
InChIKeyYLRJMKARIPCYQC-UHFFFAOYSA-N
MW388.60 g/mol
LogP5.18
Rot. Bonds2

About 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole

4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole (PubChem CID 123676105) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole.

Molecular Properties

Compound Name4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole
PubChem CID123676105
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC Name4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole
SMILESC=CC=c1c(=C)ncn1C1C=CC2C3CC=C4CC(C)CCC4(C)C3CCC21C
InChIInChI=1S/C27H36N2/c1-6-7-24-19(3)28-17-29(24)25-11-10-22-21-9-8-20-16-18(2)12-14-26(20,4)23(21)13-15-27(22,25)5/h6-8,10-11,17-18,21-23,25H,1,3,9,12-16H2,2,4-5H3
InChIKeyYLRJMKARIPCYQC-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole with MolForge

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Related Compounds

1-[(10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3a,4-dihydrobenzimidazole
CID 117638415
(7aS)-1-[(3aS,6S)-3a,6-dimethyl-6,7-dipropyl-4,5,5a,7,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118640103
3-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-3a,4-dihydrobenzimidazole
CID 123486632
1-(4-tert-butylcyclohexa-1,3-dien-1-yl)-3-[(1R,4S)-4-tert-butylcyclohex-2-en-1-yl]-4,5-dihydroimidazol-3-ium
CID 123533546
acetylene;N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
CID 143287982
(3aS,3bR,10aR,10bS,12aS)-1-(4,5-dihydroimidazol-1-yl)-8,10a,12a-trimethyl-3a,3b,4,5,7,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepine
CID 144401128
carbanide;(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;N-sulfidohydroxylamine;uranium(2+)
CID 171538663
(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole
CID 171538664
(4E,5E)-1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-ethylidene-5-prop-2-enylideneimidazole;ethane
CID 171538734
N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
CID 143287983

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole?
The IUPAC name of 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole (CID 123676105) is 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole.
What is the SMILES notation for 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole?
The canonical SMILES for 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole is C=CC=c1c(=C)ncn1C1C=CC2C3CC=C4CC(C)CCC4(C)C3CCC21C.
What is the InChIKey of 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole?
The InChIKey is YLRJMKARIPCYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2/c1-6-7-24-19(3)28-17-29(24)25-11-10-22-21-9-8-20-16-18(2)12-14-26(20,4)23(21)13-15-27(22,25)5/h6-8,10-11,17-18,21-23,25H,1,3,9,12-16H2,2,4-5H3.
What are the key properties of 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole?
4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole has a molecular weight of 388.60 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-prop-2-enylidene-1-(3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)imidazole is sourced from PubChem (CID 123676105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).