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

C15H27N7O2 — CID 155201791

IUPAC5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
SMILESCCCCCNC(=O)c1ncc(C(=O)NCCCCN=C(N)N)[nH]1
InChIInChI=1S/C15H27N7O2/c1-2-3-4-7-19-14(24)12-21-10-11(22-12)13(23)18-8-5-6-9-20-15(16)17/h10H,2-9H2,1H3,(H,18,23)(H,19,24)(H,21,22)(H4,16,17,20)
InChIKeyCBNQJLCWORBTSN-UHFFFAOYSA-N
MW337.43 g/mol
LogP0.11
Rot. Bonds11

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

5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide (PubChem CID 155201791) has the molecular formula C15H27N7O2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
PubChem CID155201791
Molecular FormulaC15H27N7O2
Molecular Weight337.43 g/mol
Exact Mass337.22
IUPAC Name5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
SMILESCCCCCNC(=O)c1ncc(C(=O)NCCCCN=C(N)N)[nH]1
InChIInChI=1S/C15H27N7O2/c1-2-3-4-7-19-14(24)12-21-10-11(22-12)13(23)18-8-5-6-9-20-15(16)17/h10H,2-9H2,1H3,(H,18,23)(H,19,24)(H,21,22)(H4,16,17,20)
InChIKeyCBNQJLCWORBTSN-UHFFFAOYSA-N
XLogP0.11
TPSA151.28 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 50.11
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
2-cyclopropyl-1H-imidazole-4-carboxamide
CID 71755948
2-Butyl-5-formylimidazole
CID 2735671
2-[4-[(4-aminocyclohexyl)amino]-2-oxo-1H-pyridin-3-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 137175070
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide
CID 89705223
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
US10022354, Example 19
CID 121279557
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
4-(Hexanoylamino)-1H-imidazole-5-carboxamide
CID 385088
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]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide?
The IUPAC name of 5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide (CID 155201791) is 5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide is CCCCCNC(=O)c1ncc(C(=O)NCCCCN=C(N)N)[nH]1.
What is the InChIKey of 5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide?
The InChIKey is CBNQJLCWORBTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O2/c1-2-3-4-7-19-14(24)12-21-10-11(22-12)13(23)18-8-5-6-9-20-15(16)17/h10H,2-9H2,1H3,(H,18,23)(H,19,24)(H,21,22)(H4,16,17,20).
What are the key properties of 5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide?
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide has a molecular weight of 337.43 g/mol, XLogP of 0.11, 11 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]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide is sourced from PubChem (CID 155201791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).