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

C20H20ClN5O2 — CID 7711105

IUPACN-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESO=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccccc1Cl
InChIInChI=1S/C20H20ClN5O2/c21-15-6-2-1-5-14(15)13-23-18(27)9-10-22-20(28)26-12-11-25-17-8-4-3-7-16(17)24-19(25)26/h1-8H,9-13H2,(H,22,28)(H,23,27)
InChIKeyRYYIHIMKWOBMIN-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.93
Rot. Bonds5

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

N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (PubChem CID 7711105) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
PubChem CID7711105
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESO=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccccc1Cl
InChIInChI=1S/C20H20ClN5O2/c21-15-6-2-1-5-14(15)13-23-18(27)9-10-22-20(28)26-12-11-25-17-8-4-3-7-16(17)24-19(25)26/h1-8H,9-13H2,(H,22,28)(H,23,27)
InChIKeyRYYIHIMKWOBMIN-UHFFFAOYSA-N
XLogP2.93
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78595450
N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711248
2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate
CID 8016164
(2S)-2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]-3-methylbutanoate
CID 8015917
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
(2S,3R)-2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]-3-methylpentanoic acid
CID 40826588
N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78595582
(2-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504683
(2,4-dichlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 975542
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid
CID 47001220
N-[(2-chlorophenyl)methyl]-4-[(1-phenylbenzimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 139721505

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (CID 7711105) is N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is O=C(CCNC(=O)N1CCn2c1nc1ccccc12)NCc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is RYYIHIMKWOBMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-15-6-2-1-5-14(15)13-23-18(27)9-10-22-20(28)26-12-11-25-17-8-4-3-7-16(17)24-19(25)26/h1-8H,9-13H2,(H,22,28)(H,23,27).
What are the key properties of N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 7711105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).