N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

C16H19N5O2 — CID 78530236

IUPACN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1
InChIInChI=1S/C16H19N5O2/c1-10(14(22)18-11-6-7-11)17-16(23)21-9-8-20-13-5-3-2-4-12(13)19-15(20)21/h2-5,10-11H,6-9H2,1H3,(H,17,23)(H,18,22)
InChIKeyZAOWJNJPWWLAJC-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.23
Rot. Bonds3

About N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (PubChem CID 78530236) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
PubChem CID78530236
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1
InChIInChI=1S/C16H19N5O2/c1-10(14(22)18-11-6-7-11)17-16(23)21-9-8-20-13-5-3-2-4-12(13)19-15(20)21/h2-5,10-11H,6-9H2,1H3,(H,17,23)(H,18,22)
InChIKeyZAOWJNJPWWLAJC-UHFFFAOYSA-N
XLogP1.23
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (CID 78530236) is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is CC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC1CC1.
What is the InChIKey of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is ZAOWJNJPWWLAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(14(22)18-11-6-7-11)17-16(23)21-9-8-20-13-5-3-2-4-12(13)19-15(20)21/h2-5,10-11H,6-9H2,1H3,(H,17,23)(H,18,22).
What are the key properties of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 78530236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).