7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one

C44H50Cl3N9O2 — CID 157117305

IUPAC7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one
SMILESC.C=C1NC(Cc2c[nH]c3c(C)cccc23)C(=O)N1C.C=C1NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C(=O)N1C.C=C1NC(Cc2c[nH]c3c(Cl)cccc23)CN1C
InChIInChI=1S/C15H17N3O.C14H13Cl2N3O.C14H16ClN3.CH4/c1-9-5-4-6-12-11(8-16-14(9)12)7-13-15(19)18(3)10(2)17-13;1-7-18-11(14(20)19(7)2)5-8-6-17-13-9(8)3-4-10(15)12(13)16;1-9-17-11(8-18(9)2)6-10-7-16-14-12(10)4-3-5-13(14)15;/h4-6,8,13,16-17H,2,7H2,1,3H3;3-4,6,11,17-18H,1,5H2,2H3;3-5,7,11,16-17H,1,6,8H2,2H3;1H4
InChIKeyAHODDDYAXGXACJ-UHFFFAOYSA-N
MW843.30 g/mol
LogP8.21
Rot. Bonds6

About 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one

7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one (PubChem CID 157117305) has the molecular formula C44H50Cl3N9O2 and a molecular weight of 843.30 g/mol. Its IUPAC name is 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one
PubChem CID157117305
Molecular FormulaC44H50Cl3N9O2
Molecular Weight843.30 g/mol
Exact Mass841.32
IUPAC Name7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one
SMILESC.C=C1NC(Cc2c[nH]c3c(C)cccc23)C(=O)N1C.C=C1NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C(=O)N1C.C=C1NC(Cc2c[nH]c3c(Cl)cccc23)CN1C
InChIInChI=1S/C15H17N3O.C14H13Cl2N3O.C14H16ClN3.CH4/c1-9-5-4-6-12-11(8-16-14(9)12)7-13-15(19)18(3)10(2)17-13;1-7-18-11(14(20)19(7)2)5-8-6-17-13-9(8)3-4-10(15)12(13)16;1-9-17-11(8-18(9)2)6-10-7-16-14-12(10)4-3-5-13(14)15;/h4-6,8,13,16-17H,2,7H2,1,3H3;3-4,6,11,17-18H,1,5H2,2H3;3-5,7,11,16-17H,1,6,8H2,2H3;1H4
InChIKeyAHODDDYAXGXACJ-UHFFFAOYSA-N
XLogP8.21
TPSA127.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.30
LogP ≤ 58.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one with MolForge

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Related Compounds

4-[2-[(2,3-dichlorophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 45488878
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-2-(3,6-dihydro-2H-pyridin-1-yl)-N-(5-fluoro-1H-indol-3-yl)-3-(1H-indol-3-yl)propanamide
CID 67666678
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-2-(3,6-dihydro-2H-pyridin-1-yl)-3-(5-fluoro-1H-indol-3-yl)-3-(1H-indol-3-yl)propanamide
CID 67666680
(2R)-N-[(3,4-dichlorophenyl)methyl]-2-[[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]-3-(1H-indol-3-yl)propanamide
CID 140392083
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(7-chloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2-chloro-5-methylphenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 157066804
(5R)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(7-chloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2-chloro-5-methylphenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-iodophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione
CID 160338081
(5R)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(7-chloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2-chloro-5-methylphenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(3-chlorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-iodophenyl)methyl]imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione
CID 162011370
N-(2,3-dichlorophenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3971559
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57377386
2-acetamido-N-(5-cyano-1H-indol-3-yl)-N-[(3,4-dichlorophenyl)methyl]-2-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propanamide
CID 67664181
2-acetamido-3-(5-cyano-1H-indol-3-yl)-N-[(3,4-dichlorophenyl)methyl]-2-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propanamide
CID 67664185
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one
CID 67978298

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one (CID 157117305) is 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one is C.C=C1NC(Cc2c[nH]c3c(C)cccc23)C(=O)N1C.C=C1NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C(=O)N1C.C=C1NC(Cc2c[nH]c3c(Cl)cccc23)CN1C.
What is the InChIKey of 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one?
The InChIKey is AHODDDYAXGXACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.C14H13Cl2N3O.C14H16ClN3.CH4/c1-9-5-4-6-12-11(8-16-14(9)12)7-13-15(19)18(3)10(2)17-13;1-7-18-11(14(20)19(7)2)5-8-6-17-13-9(8)3-4-10(15)12(13)16;1-9-17-11(8-18(9)2)6-10-7-16-14-12(10)4-3-5-13(14)15;/h4-6,8,13,16-17H,2,7H2,1,3H3;3-4,6,11,17-18H,1,5H2,2H3;3-5,7,11,16-17H,1,6,8H2,2H3;1H4.
What are the key properties of 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one?
7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one has a molecular weight of 843.30 g/mol, XLogP of 8.21, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(1-methyl-2-methylideneimidazolidin-4-yl)methyl]-1H-indole;5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one;methane;3-methyl-2-methylidene-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 157117305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).