N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide

C18H17N5O2 — CID 1485013

IUPACN'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C18H17N5O2/c1-12-6-8-14(9-7-12)17(24)21-22-18(25)15-10-23(11-19-15)16-5-3-4-13(2)20-16/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyQEOWIBCHCYBRDO-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.96
Rot. Bonds3

About N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide

N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide (PubChem CID 1485013) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
PubChem CID1485013
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
InChIInChI=1S/C18H17N5O2/c1-12-6-8-14(9-7-12)17(24)21-22-18(25)15-10-23(11-19-15)16-5-3-4-13(2)20-16/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyQEOWIBCHCYBRDO-UHFFFAOYSA-N
XLogP1.96
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(methylideneamino)-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 143907242
1-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-3-phenylthiourea
CID 1485012
1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 1491423
1-(6-methyl-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 1491434
methyl 2-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]acetate
CID 71202553
5-[[1-(6-methyl-2-pyridinyl)imidazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71061074
N-[1-(2-hydroxyphenyl)-3-(methylamino)-3-pyridin-3-ylpropyl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 143708720
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]methanone
CID 1472426
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
CID 4109679

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide (CID 1485013) is N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
The InChIKey is QEOWIBCHCYBRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-6-8-14(9-7-12)17(24)21-22-18(25)15-10-23(11-19-15)16-5-3-4-13(2)20-16/h3-11H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide?
N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide has a molecular weight of 335.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-1-(6-methyl-2-pyridinyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 1485013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).