1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole

C19H26N6 — CID 126836065

IUPAC1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
SMILESCCCn1ncnc1CN1CCCC(Cn2cnc3ccccc32)C1
InChIInChI=1S/C19H26N6/c1-2-9-25-19(20-14-22-25)13-23-10-5-6-16(11-23)12-24-15-21-17-7-3-4-8-18(17)24/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3
InChIKeyGAAZZVVEPYSQAW-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.95
Rot. Bonds6

About 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole

1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole (PubChem CID 126836065) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
PubChem CID126836065
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
SMILESCCCn1ncnc1CN1CCCC(Cn2cnc3ccccc32)C1
InChIInChI=1S/C19H26N6/c1-2-9-25-19(20-14-22-25)13-23-10-5-6-16(11-23)12-24-15-21-17-7-3-4-8-18(17)24/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3
InChIKeyGAAZZVVEPYSQAW-UHFFFAOYSA-N
XLogP2.95
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 138031162
1-[[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 99929588
3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
methyl 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylate
CID 115537106
methyl (3S)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylate
CID 113331061
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126811031
1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 57328320
3-(bromomethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80680575
2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol
CID 135304460
2-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115451

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole?
The IUPAC name of 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole (CID 126836065) is 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole is CCCn1ncnc1CN1CCCC(Cn2cnc3ccccc32)C1.
What is the InChIKey of 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole?
The InChIKey is GAAZZVVEPYSQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-2-9-25-19(20-14-22-25)13-23-10-5-6-16(11-23)12-24-15-21-17-7-3-4-8-18(17)24/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3.
What are the key properties of 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole?
1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole has a molecular weight of 338.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole is sourced from PubChem (CID 126836065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).