1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole

C16H23N3 — CID 143552600

IUPAC1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole
SMILESC=C1CCN(Cc2nc3c(n2C)=CC(C)CC=3)CC1
InChIInChI=1S/C16H23N3/c1-12-6-8-19(9-7-12)11-16-17-14-5-4-13(2)10-15(14)18(16)3/h5,10,13H,1,4,6-9,11H2,2-3H3
InChIKeySOIWKQOIEAVDSB-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.17
Rot. Bonds2

About 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole

1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole (PubChem CID 143552600) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole
PubChem CID143552600
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole
SMILESC=C1CCN(Cc2nc3c(n2C)=CC(C)CC=3)CC1
InChIInChI=1S/C16H23N3/c1-12-6-8-19(9-7-12)11-16-17-14-5-4-13(2)10-15(14)18(16)3/h5,10,13H,1,4,6-9,11H2,2-3H3
InChIKeySOIWKQOIEAVDSB-UHFFFAOYSA-N
XLogP1.17
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-Methylprop-2-enyl)-3a,4,7,7a-tetrahydrobenzimidazol-2-yl]cyclohexa-1,5-dien-1-amine
CID 89973201
11-(2,6-Dimethylcyclohexa-1,3-dien-1-yl)-1-aza-7-azonia-11-boratricyclo[7.4.0.02,7]trideca-2(7),5,9,12-tetraene
CID 90977634
1,3-Bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-4,5-dihydroimidazol-1-ium
CID 123590692
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine
CID 135142718
N-[(3E)-3-(4,6-dimethylcyclohexa-1,5-dien-1-yl)penta-1,3-dien-2-yl]-3-propan-2-yl-5-propan-2-ylideneimidazol-4-imine
CID 135301394
(2Z)-8,12,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(19),2,15,17-tetraene
CID 141293430
2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole
CID 143742383
Ethane;4-(5-methylidenecyclopenta-1,3-dien-1-yl)-1-(4-methylpiperazin-1-yl)-6,7-dihydropyrrolo[1,2-a]pyrazine
CID 144250587
3,3-Dimethyl-7-piperidin-1-yl-4,5-dihydrobenzimidazol-3-ium
CID 171512074
2-methyl-3-[(Z)-4-methylhept-2-en-3-yl]-4,5,7,8-tetrahydro-1,3-benzodiazepine
CID 174169853
1-[3-Methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine
CID 142583906

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole?
The IUPAC name of 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole (CID 143552600) is 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole.
What is the SMILES notation for 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole?
The canonical SMILES for 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole is C=C1CCN(Cc2nc3c(n2C)=CC(C)CC=3)CC1.
What is the InChIKey of 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole?
The InChIKey is SOIWKQOIEAVDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-6-8-19(9-7-12)11-16-17-14-5-4-13(2)10-15(14)18(16)3/h5,10,13H,1,4,6-9,11H2,2-3H3.
What are the key properties of 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole?
1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-[(4-methylidenepiperidin-1-yl)methyl]-5,6-dihydrobenzimidazole is sourced from PubChem (CID 143552600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).