N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

C14H17N5O3 — CID 25011781

IUPACN-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)N=C(N)N)c(C)[nH]2)c1OC
InChIInChI=1S/C14H17N5O3/c1-7-10(13(20)19-14(15)16)18-12(17-7)8-5-4-6-9(21-2)11(8)22-3/h4-6H,1-3H3,(H,17,18)(H4,15,16,19,20)
InChIKeyMGEBVOUAQCYFFI-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.82
Rot. Bonds4

About N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 25011781) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID25011781
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)N=C(N)N)c(C)[nH]2)c1OC
InChIInChI=1S/C14H17N5O3/c1-7-10(13(20)19-14(15)16)18-12(17-7)8-5-4-6-9(21-2)11(8)22-3/h4-6H,1-3H3,(H,17,18)(H4,15,16,19,20)
InChIKeyMGEBVOUAQCYFFI-UHFFFAOYSA-N
XLogP0.82
TPSA128.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 25011781) is N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is COc1cccc(-c2nc(C(=O)N=C(N)N)c(C)[nH]2)c1OC.
What is the InChIKey of N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is MGEBVOUAQCYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-7-10(13(20)19-14(15)16)18-12(17-7)8-5-4-6-9(21-2)11(8)22-3/h4-6H,1-3H3,(H,17,18)(H4,15,16,19,20).
What are the key properties of N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 25011781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).