5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide

C10H17N7O2 — CID 155201792

IUPAC5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide
SMILESNC(=O)c1ncc(C(=O)NCCCCN=C(N)N)[nH]1
InChIInChI=1S/C10H17N7O2/c11-7(18)8-16-5-6(17-8)9(19)14-3-1-2-4-15-10(12)13/h5H,1-4H2,(H2,11,18)(H,14,19)(H,16,17)(H4,12,13,15)
InChIKeyYGLUXJCVGHKEBJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.71
Rot. Bonds7

About 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide

5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide (PubChem CID 155201792) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide
PubChem CID155201792
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide
SMILESNC(=O)c1ncc(C(=O)NCCCCN=C(N)N)[nH]1
InChIInChI=1S/C10H17N7O2/c11-7(18)8-16-5-6(17-8)9(19)14-3-1-2-4-15-10(12)13/h5H,1-4H2,(H2,11,18)(H,14,19)(H,16,17)(H4,12,13,15)
InChIKeyYGLUXJCVGHKEBJ-UHFFFAOYSA-N
XLogP-1.71
TPSA165.27 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-imidazole-5-carboxamide
CID 152917
1H-imidazole-5-carbohydrazide
CID 225355
2-cyclopropyl-1H-imidazole-4-carboxamide
CID 71755948
2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 137175070
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
1-[2-Aminoethyl]hypoxanthine
CID 586384
US10022354, Example 19
CID 121279557
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
2-(1H-imidazol-2-yl)-1H-imidazole-5-carboxamide
CID 44339733

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide?
The IUPAC name of 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide (CID 155201792) is 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide is NC(=O)c1ncc(C(=O)NCCCCN=C(N)N)[nH]1.
What is the InChIKey of 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide?
The InChIKey is YGLUXJCVGHKEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2/c11-7(18)8-16-5-6(17-8)9(19)14-3-1-2-4-15-10(12)13/h5H,1-4H2,(H2,11,18)(H,14,19)(H,16,17)(H4,12,13,15).
What are the key properties of 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide?
5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide has a molecular weight of 267.29 g/mol, XLogP of -1.71, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(diaminomethylideneamino)butyl]-1H-imidazole-2,5-dicarboxamide is sourced from PubChem (CID 155201792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).