N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide

C14H20N8O3 — CID 11725306

IUPACN-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2nc(NC=O)cn2C)nc1C(N)=O
InChIInChI=1S/C14H20N8O3/c1-20(2)4-5-22-7-10(18-12(22)11(15)24)19-14(25)13-17-9(16-8-23)6-21(13)3/h6-8H,4-5H2,1-3H3,(H2,15,24)(H,16,23)(H,19,25)
InChIKeyXKCZHMWOUDPFRZ-UHFFFAOYSA-N
MW348.37 g/mol
LogP-0.90
Rot. Bonds8

About N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide

N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide (PubChem CID 11725306) has the molecular formula C14H20N8O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide
PubChem CID11725306
Molecular FormulaC14H20N8O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC NameN-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2nc(NC=O)cn2C)nc1C(N)=O
InChIInChI=1S/C14H20N8O3/c1-20(2)4-5-22-7-10(18-12(22)11(15)24)19-14(25)13-17-9(16-8-23)6-21(13)3/h6-8H,4-5H2,1-3H3,(H2,15,24)(H,16,23)(H,19,25)
InChIKeyXKCZHMWOUDPFRZ-UHFFFAOYSA-N
XLogP-0.90
TPSA140.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 5-0.90
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-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide (CID 11725306) is N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide is CN(C)CCn1cc(NC(=O)c2nc(NC=O)cn2C)nc1C(N)=O.
What is the InChIKey of N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
The InChIKey is XKCZHMWOUDPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O3/c1-20(2)4-5-22-7-10(18-12(22)11(15)24)19-14(25)13-17-9(16-8-23)6-21(13)3/h6-8H,4-5H2,1-3H3,(H2,15,24)(H,16,23)(H,19,25).
What are the key properties of N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide?
N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of -0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-carbamoyl-1-[2-(dimethylamino)ethyl]imidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 11725306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).