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

C20H20ClN5O2 — CID 78595450

IUPACN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-13(18(27)22-12-14-6-2-3-7-15(14)21)23-20(28)26-11-10-25-17-9-5-4-8-16(17)24-19(25)26/h2-9,13H,10-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyZWQUJJIFMHDYIB-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.92
Rot. Bonds4

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

N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (PubChem CID 78595450) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
PubChem CID78595450
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H20ClN5O2/c1-13(18(27)22-12-14-6-2-3-7-15(14)21)23-20(28)26-11-10-25-17-9-5-4-8-16(17)24-19(25)26/h2-9,13H,10-12H2,1H3,(H,22,27)(H,23,28)
InChIKeyZWQUJJIFMHDYIB-UHFFFAOYSA-N
XLogP2.92
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (CID 78595450) is N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is CC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is ZWQUJJIFMHDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-13(18(27)22-12-14-6-2-3-7-15(14)21)23-20(28)26-11-10-25-17-9-5-4-8-16(17)24-19(25)26/h2-9,13H,10-12H2,1H3,(H,22,27)(H,23,28).
What are the key properties of N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 78595450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).