1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine

C16H22N8 — CID 118165359

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C16H22N8/c1-23(10-14-18-12-4-2-3-5-13(12)19-14)11-6-8-24(9-7-11)16-20-15(17)21-22-16/h2-5,11H,6-10H2,1H3,(H,18,19)(H3,17,20,21,22)
InChIKeyMDQWGZXFRRVBOT-UHFFFAOYSA-N
MW326.41 g/mol
LogP1.36
Rot. Bonds4

About 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine (PubChem CID 118165359) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine
PubChem CID118165359
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C16H22N8/c1-23(10-14-18-12-4-2-3-5-13(12)19-14)11-6-8-24(9-7-11)16-20-15(17)21-22-16/h2-5,11H,6-10H2,1H3,(H,18,19)(H3,17,20,21,22)
InChIKeyMDQWGZXFRRVBOT-UHFFFAOYSA-N
XLogP1.36
TPSA102.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine with MolForge

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Related Compounds

4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine
CID 29258744
2-[[methyl(oxolan-3-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 82731856
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165377
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 110029580
2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-methylamino]-3-(4-chlorophenyl)propan-1-ol
CID 122602556
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine (CID 118165359) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine is CN(Cc1nc2ccccc2[nH]1)C1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine?
The InChIKey is MDQWGZXFRRVBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-23(10-14-18-12-4-2-3-5-13(12)19-14)11-6-8-24(9-7-11)16-20-15(17)21-22-16/h2-5,11H,6-10H2,1H3,(H,18,19)(H3,17,20,21,22).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine?
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine has a molecular weight of 326.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 118165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).