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

C18H26N8O3 — CID 10386380

IUPAC4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)C3CC3)cn2C)cn1C
InChIInChI=1S/C18H26N8O3/c1-24(2)8-7-19-17(28)14-20-13(10-25(14)3)23-18(29)15-21-12(9-26(15)4)22-16(27)11-5-6-11/h9-11H,5-8H2,1-4H3,(H,19,28)(H,22,27)(H,23,29)
InChIKeyUVNLSALJYPVWGD-UHFFFAOYSA-N
MW402.46 g/mol
LogP0.05
Rot. Bonds8

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

4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide (PubChem CID 10386380) has the molecular formula C18H26N8O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
PubChem CID10386380
Molecular FormulaC18H26N8O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC Name4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)C3CC3)cn2C)cn1C
InChIInChI=1S/C18H26N8O3/c1-24(2)8-7-19-17(28)14-20-13(10-25(14)3)23-18(29)15-21-12(9-26(15)4)22-16(27)11-5-6-11/h9-11H,5-8H2,1-4H3,(H,19,28)(H,22,27)(H,23,29)
InChIKeyUVNLSALJYPVWGD-UHFFFAOYSA-N
XLogP0.05
TPSA126.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide (CID 10386380) is 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide is CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)C3CC3)cn2C)cn1C.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is UVNLSALJYPVWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O3/c1-24(2)8-7-19-17(28)14-20-13(10-25(14)3)23-18(29)15-21-12(9-26(15)4)22-16(27)11-5-6-11/h9-11H,5-8H2,1-4H3,(H,19,28)(H,22,27)(H,23,29).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide?
4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10386380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).