N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide

C19H22N6O — CID 139003475

IUPACN,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
SMILESCN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)C1CCc2nnn(C)c2C1
InChIInChI=1S/C19H22N6O/c1-24(12-18-20-11-16(21-18)13-6-4-3-5-7-13)19(26)14-8-9-15-17(10-14)25(2)23-22-15/h3-7,11,14H,8-10,12H2,1-2H3,(H,20,21)
InChIKeyAMIBSYXKTKULRF-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.97
Rot. Bonds4

About N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide

N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide (PubChem CID 139003475) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
PubChem CID139003475
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
SMILESCN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)C1CCc2nnn(C)c2C1
InChIInChI=1S/C19H22N6O/c1-24(12-18-20-11-16(21-18)13-6-4-3-5-7-13)19(26)14-8-9-15-17(10-14)25(2)23-22-15/h3-7,11,14H,8-10,12H2,1-2H3,(H,20,21)
InChIKeyAMIBSYXKTKULRF-UHFFFAOYSA-N
XLogP1.97
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
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4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
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(S)-1-methyl-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)piperidine-4-carboxamide
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1-methyl-N-((S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)pyrrolidine-3-carboxamide
CID 44590159
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CID 56658153
cis-(1R,3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(ethylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 56665072
cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide
CID 56675407
cis-(1R,3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methyl-3-(propanoylamino)cyclopentane-1-carboxamide
CID 56678754
[4-[[4-(Benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 59718972
[5-[2-(1H-imidazol-2-yl)ethylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641812
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide (CID 139003475) is N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide is CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)C1CCc2nnn(C)c2C1.
What is the InChIKey of N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The InChIKey is AMIBSYXKTKULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24(12-18-20-11-16(21-18)13-6-4-3-5-7-13)19(26)14-8-9-15-17(10-14)25(2)23-22-15/h3-7,11,14H,8-10,12H2,1-2H3,(H,20,21).
What are the key properties of N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide is sourced from PubChem (CID 139003475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).