ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine

C24H32N6 — CID 156649699

IUPACethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine
SMILESC=C1N(Cc2nc3cc(C)ccc3n2N)c2cnccc2C12CCC2.C=CN.CC
InChIInChI=1S/C20H21N5.C2H5N.C2H6/c1-13-4-5-17-16(10-13)23-19(25(17)21)12-24-14(2)20(7-3-8-20)15-6-9-22-11-18(15)24;1-2-3;1-2/h4-6,9-11H,2-3,7-8,12,21H2,1H3;2H,1,3H2;1-2H3
InChIKeyJAURGNMBFABEPJ-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.52
Rot. Bonds2

About ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine

ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine (PubChem CID 156649699) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine.

Molecular Properties

Compound Nameethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine
PubChem CID156649699
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Nameethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine
SMILESC=C1N(Cc2nc3cc(C)ccc3n2N)c2cnccc2C12CCC2.C=CN.CC
InChIInChI=1S/C20H21N5.C2H5N.C2H6/c1-13-4-5-17-16(10-13)23-19(25(17)21)12-24-14(2)20(7-3-8-20)15-6-9-22-11-18(15)24;1-2-3;1-2/h4-6,9-11H,2-3,7-8,12,21H2,1H3;2H,1,3H2;1-2H3
InChIKeyJAURGNMBFABEPJ-UHFFFAOYSA-N
XLogP4.52
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium
CID 156649643
N-but-1-en-2-yl-6-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine;methanamine
CID 156649704
acetic acid;5-chloro-N-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine;uranium
CID 156649611
ethane;N-methylmethanamine;propan-2-yl 1'-[(6-chloro-1-formamidobenzimidazol-2-yl)methyl]-2'-methylidenespiro[cyclohexane-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate
CID 156649886
1'-[(5-chloro-1-cyclobutylbenzimidazol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 129089667
3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine
CID 156650084
1'-[(5-chloro-1-hept-6-en-4-ynylbenzimidazol-2-yl)methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 134286975
(Z)-2-amino-1-[1'-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2'-methylidenespiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-yl]-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylimino]but-2-en-1-one
CID 156649818
1'-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-methylspiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one;3-[2-[2-[2-[4-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanal
CID 156649882
1-(1-ethylcyclobutyl)-5-methylbenzimidazol-2-amine
CID 113488927
1'-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 156649904
1'-[[5-chloro-1-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]butyl]benzimidazol-2-yl]methyl]-1-methylspiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 156649650

Frequently Asked Questions

What is the IUPAC name of ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine?
The IUPAC name of ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine (CID 156649699) is ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine.
What is the SMILES notation for ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine?
The canonical SMILES for ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine is C=C1N(Cc2nc3cc(C)ccc3n2N)c2cnccc2C12CCC2.C=CN.CC.
What is the InChIKey of ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine?
The InChIKey is JAURGNMBFABEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.C2H5N.C2H6/c1-13-4-5-17-16(10-13)23-19(25(17)21)12-24-14(2)20(7-3-8-20)15-6-9-22-11-18(15)24;1-2-3;1-2/h4-6,9-11H,2-3,7-8,12,21H2,1H3;2H,1,3H2;1-2H3.
What are the key properties of ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine?
ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine has a molecular weight of 404.56 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine is sourced from PubChem (CID 156649699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).