N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide

C24H35N11O4 — CID 11249714

IUPACN-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide
SMILESCCn1cc(NC(=O)c2nc(NC(=O)c3nc(NC=O)cn3CC)cn2CC)nc1C(=O)NCCCN(C)C
InChIInChI=1S/C24H35N11O4/c1-6-33-12-16(26-15-36)27-20(33)23(38)31-18-14-35(8-3)21(29-18)24(39)30-17-13-34(7-2)19(28-17)22(37)25-10-9-11-32(4)5/h12-15H,6-11H2,1-5H3,(H,25,37)(H,26,36)(H,30,39)(H,31,38)
InChIKeyLAGBYYGOOWJEDQ-UHFFFAOYSA-N
MW541.62 g/mol
LogP1.09
Rot. Bonds14

About N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide

N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide (PubChem CID 11249714) has the molecular formula C24H35N11O4 and a molecular weight of 541.62 g/mol. Its IUPAC name is N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide
PubChem CID11249714
Molecular FormulaC24H35N11O4
Molecular Weight541.62 g/mol
Exact Mass541.29
IUPAC NameN-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide
SMILESCCn1cc(NC(=O)c2nc(NC(=O)c3nc(NC=O)cn3CC)cn2CC)nc1C(=O)NCCCN(C)C
InChIInChI=1S/C24H35N11O4/c1-6-33-12-16(26-15-36)27-20(33)23(38)31-18-14-35(8-3)21(29-18)24(39)30-17-13-34(7-2)19(28-17)22(37)25-10-9-11-32(4)5/h12-15H,6-11H2,1-5H3,(H,25,37)(H,26,36)(H,30,39)(H,31,38)
InChIKeyLAGBYYGOOWJEDQ-UHFFFAOYSA-N
XLogP1.09
TPSA173.10 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.62
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide?
The IUPAC name of N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide (CID 11249714) is N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide?
The canonical SMILES for N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide is CCn1cc(NC(=O)c2nc(NC(=O)c3nc(NC=O)cn3CC)cn2CC)nc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide?
The InChIKey is LAGBYYGOOWJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N11O4/c1-6-33-12-16(26-15-36)27-20(33)23(38)31-18-14-35(8-3)21(29-18)24(39)30-17-13-34(7-2)19(28-17)22(37)25-10-9-11-32(4)5/h12-15H,6-11H2,1-5H3,(H,25,37)(H,26,36)(H,30,39)(H,31,38).
What are the key properties of N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide?
N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide has a molecular weight of 541.62 g/mol, XLogP of 1.09, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-ethylimidazol-4-yl]carbamoyl]-1-ethylimidazol-4-yl]-1-ethyl-4-formamidoimidazole-2-carboxamide is sourced from PubChem (CID 11249714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).