1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole

C15H23N3 — CID 123789944

IUPAC1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
SMILESCC1=CC=C2C(C1)N=C(CC1CCNCC1)N2C
InChIInChI=1S/C15H23N3/c1-11-3-4-14-13(9-11)17-15(18(14)2)10-12-5-7-16-8-6-12/h3-4,12-13,16H,5-10H2,1-2H3
InChIKeyXZXUBZMLXNLHHR-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.32
Rot. Bonds2

About 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole

1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole (PubChem CID 123789944) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
PubChem CID123789944
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
SMILESCC1=CC=C2C(C1)N=C(CC1CCNCC1)N2C
InChIInChI=1S/C15H23N3/c1-11-3-4-14-13(9-11)17-15(18(14)2)10-12-5-7-16-8-6-12/h3-4,12-13,16H,5-10H2,1-2H3
InChIKeyXZXUBZMLXNLHHR-UHFFFAOYSA-N
XLogP2.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole
CID 126707475
6-Fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole
CID 143792274
2-cyclopropyl-4-[(1E)-1-(3-fluorocyclohex-3-en-1-ylidene)ethyl]-3a,4-dihydro-1H-benzimidazole
CID 163792939
2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
CID 70988964
3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
CID 70988985
4-[1-(2-Methylprop-2-enyl)-3a,4,7,7a-tetrahydrobenzimidazol-2-yl]cyclohexa-1,5-dien-1-amine
CID 89973201
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
(1,5-Dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine
CID 123648545
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
5-ethenyl-6-methylidene-2-(1-methylpiperidin-4-yl)-4-prop-1-en-2-yl-1H-pyrimidine
CID 142187236
4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine
CID 142272948

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole?
The IUPAC name of 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole (CID 123789944) is 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole.
What is the SMILES notation for 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole?
The canonical SMILES for 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole is CC1=CC=C2C(C1)N=C(CC1CCNCC1)N2C.
What is the InChIKey of 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole?
The InChIKey is XZXUBZMLXNLHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-3-4-14-13(9-11)17-15(18(14)2)10-12-5-7-16-8-6-12/h3-4,12-13,16H,5-10H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole?
1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole has a molecular weight of 245.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole is sourced from PubChem (CID 123789944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).