ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone

C31H32N2O — CID 155599018

IUPACethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone
SMILESC=Cc1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(C)cc3)c2c1.CC.CC
InChIInChI=1S/C27H20N2O.2C2H6/c1-3-19-13-16-24-25(17-19)29(27(30)21-14-11-18(2)12-15-21)26(28-24)23-10-6-8-20-7-4-5-9-22(20)23;2*1-2/h3-17H,1H2,2H3;2*1-2H3
InChIKeyDNUVFMPHKAVNCV-UHFFFAOYSA-N
MW448.61 g/mol
LogP8.55
Rot. Bonds3

About ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone

ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone (PubChem CID 155599018) has the molecular formula C31H32N2O and a molecular weight of 448.61 g/mol. Its IUPAC name is ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Nameethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone
PubChem CID155599018
Molecular FormulaC31H32N2O
Molecular Weight448.61 g/mol
Exact Mass448.25
IUPAC Nameethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone
SMILESC=Cc1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(C)cc3)c2c1.CC.CC
InChIInChI=1S/C27H20N2O.2C2H6/c1-3-19-13-16-24-25(17-19)29(27(30)21-14-11-18(2)12-15-21)26(28-24)23-10-6-8-20-7-4-5-9-22(20)23;2*1-2/h3-17H,1H2,2H3;2*1-2H3
InChIKeyDNUVFMPHKAVNCV-UHFFFAOYSA-N
XLogP8.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(6-methyl-2-naphthalen-1-ylbenzimidazol-1-yl)methanone
CID 167572036
(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
CID 155598914
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 155598933
6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole
CID 155598973
6-methoxycarbonyl-2-naphthalen-1-ylbenzimidazole-1-sulfinate
CID 155598940
dicopper;tetrakis(1-ethenyl-3-methylbenzene);tetrakis(1-ethenyl-4-methylbenzene);bis(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene)
CID 160867934
anthracene;1-ethenyl-4-methylbenzene
CID 174555561
(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 155598873
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
CID 136592861
(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone
CID 155599085
methyl 3-(4-isocyanophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 164941932
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020

Frequently Asked Questions

What is the IUPAC name of ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone (CID 155599018) is ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone is C=Cc1ccc2nc(-c3cccc4ccccc34)n(C(=O)c3ccc(C)cc3)c2c1.CC.CC.
What is the InChIKey of ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
The InChIKey is DNUVFMPHKAVNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O.2C2H6/c1-3-19-13-16-24-25(17-19)29(27(30)21-14-11-18(2)12-15-21)26(28-24)23-10-6-8-20-7-4-5-9-22(20)23;2*1-2/h3-17H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone?
ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone has a molecular weight of 448.61 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6-ethenyl-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 155599018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).