2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride

C11H20Cl2N4O — CID 120831609

IUPAC2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc(C2CC2)[nH]1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-7(12-2)5-14-11(16)9-6-13-10(15-9)8-3-4-8;;/h6-8,12H,3-5H2,1-2H3,(H,13,15)(H,14,16);2*1H
InChIKeyPTJNHVUAHPBYBL-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.47
Rot. Bonds5

About 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride

2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride (PubChem CID 120831609) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride
PubChem CID120831609
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc(C2CC2)[nH]1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-7(12-2)5-14-11(16)9-6-13-10(15-9)8-3-4-8;;/h6-8,12H,3-5H2,1-2H3,(H,13,15)(H,14,16);2*1H
InChIKeyPTJNHVUAHPBYBL-UHFFFAOYSA-N
XLogP1.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride (CID 120831609) is 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cnc(C2CC2)[nH]1.Cl.Cl.
What is the InChIKey of 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride?
The InChIKey is PTJNHVUAHPBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-7(12-2)5-14-11(16)9-6-13-10(15-9)8-3-4-8;;/h6-8,12H,3-5H2,1-2H3,(H,13,15)(H,14,16);2*1H.
What are the key properties of 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride?
2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(methylamino)propyl]-1H-imidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120831609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).