N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide

C8H12N4 — CID 143941987

IUPACN-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide
SMILES[H]/N=C/N=C1\N=CN(C)C1=C(C)C
InChIInChI=1S/C8H12N4/c1-6(2)7-8(10-4-9)11-5-12(7)3/h4-5,9H,1-3H3/b9-4+,10-8-
InChIKeySUDCNXZZUKRTMS-HMOYTYQUSA-N
MW164.21 g/mol
LogP1.26
Rot. Bonds1

About N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide

N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide (PubChem CID 143941987) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide.

Molecular Properties

Compound NameN-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide
PubChem CID143941987
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide
SMILES[H]/N=C/N=C1\N=CN(C)C1=C(C)C
InChIInChI=1S/C8H12N4/c1-6(2)7-8(10-4-9)11-5-12(7)3/h4-5,9H,1-3H3/b9-4+,10-8-
InChIKeySUDCNXZZUKRTMS-HMOYTYQUSA-N
XLogP1.26
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide?
The IUPAC name of N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide (CID 143941987) is N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide.
What is the SMILES notation for N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide?
The canonical SMILES for N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide is [H]/N=C/N=C1\N=CN(C)C1=C(C)C.
What is the InChIKey of N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide?
The InChIKey is SUDCNXZZUKRTMS-HMOYTYQUSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(2)7-8(10-4-9)11-5-12(7)3/h4-5,9H,1-3H3/b9-4+,10-8-.
What are the key properties of N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide?
N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide has a molecular weight of 164.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-propan-2-ylideneimidazol-4-ylidene)methanimidamide is sourced from PubChem (CID 143941987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).