N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide

C15H22N8O3 — CID 10473815

IUPACN-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC=O)cn2C)cn1C
InChIInChI=1S/C15H22N8O3/c1-21(2)6-5-16-14(25)12-19-11(8-23(12)4)20-15(26)13-18-10(17-9-24)7-22(13)3/h7-9H,5-6H2,1-4H3,(H,16,25)(H,17,24)(H,20,26)
InChIKeyMUFFRHONDRWNDJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.73
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide

N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide (PubChem CID 10473815) has the molecular formula C15H22N8O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide
PubChem CID10473815
Molecular FormulaC15H22N8O3
Molecular Weight362.39 g/mol
Exact Mass362.18
IUPAC NameN-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC=O)cn2C)cn1C
InChIInChI=1S/C15H22N8O3/c1-21(2)6-5-16-14(25)12-19-11(8-23(12)4)20-15(26)13-18-10(17-9-24)7-22(13)3/h7-9H,5-6H2,1-4H3,(H,16,25)(H,17,24)(H,20,26)
InChIKeyMUFFRHONDRWNDJ-UHFFFAOYSA-N
XLogP-0.73
TPSA126.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide (CID 10473815) is N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide is CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC=O)cn2C)cn1C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The InChIKey is MUFFRHONDRWNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O3/c1-21(2)6-5-16-14(25)12-19-11(8-23(12)4)20-15(26)13-18-10(17-9-24)7-22(13)3/h7-9H,5-6H2,1-4H3,(H,16,25)(H,17,24)(H,20,26).
What are the key properties of N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10473815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).