N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide

C19H25N7O — CID 50980745

IUPACN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)c3cn(CC4CCCNC4)nn3)nc12
InChIInChI=1S/C19H25N7O/c1-13-5-3-7-15-18(13)22-17(21-15)12-25(2)19(27)16-11-26(24-23-16)10-14-6-4-8-20-9-14/h3,5,7,11,14,20H,4,6,8-10,12H2,1-2H3,(H,21,22)
InChIKeyBUBJIUSTGONKQO-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.73
Rot. Bonds5

About N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 50980745) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
PubChem CID50980745
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)c3cn(CC4CCCNC4)nn3)nc12
InChIInChI=1S/C19H25N7O/c1-13-5-3-7-15-18(13)22-17(21-15)12-25(2)19(27)16-11-26(24-23-16)10-14-6-4-8-20-9-14/h3,5,7,11,14,20H,4,6,8-10,12H2,1-2H3,(H,21,22)
InChIKeyBUBJIUSTGONKQO-UHFFFAOYSA-N
XLogP1.73
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95211615
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119666
N-methyl-1-[[(3S)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119667
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95122940
N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95123127
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188449
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188450
N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95189176
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
(3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
CID 56722676

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide (CID 50980745) is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide is Cc1cccc2[nH]c(CN(C)C(=O)c3cn(CC4CCCNC4)nn3)nc12.
What is the InChIKey of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is BUBJIUSTGONKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-13-5-3-7-15-18(13)22-17(21-15)12-25(2)19(27)16-11-26(24-23-16)10-14-6-4-8-20-9-14/h3,5,7,11,14,20H,4,6,8-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 50980745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).