(4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

C16H12ClN3O — CID 827837

IUPAC(4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C16H12ClN3O/c17-12-7-5-11(6-8-12)15(21)20-10-9-19-14-4-2-1-3-13(14)18-16(19)20/h1-8H,9-10H2
InChIKeyGMQXFPOFNLZXDK-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.35
Rot. Bonds1

About (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

(4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (PubChem CID 827837) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
PubChem CID827837
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name(4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C16H12ClN3O/c17-12-7-5-11(6-8-12)15(21)20-10-9-19-14-4-2-1-3-13(14)18-16(19)20/h1-8H,9-10H2
InChIKeyGMQXFPOFNLZXDK-UHFFFAOYSA-N
XLogP3.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2782
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N-(1-ethylbenzimidazol-2-yl)benzamide
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N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
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CID 25031073
(S)-1,3''-bipyrrolidin-1''-yl(4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 46230602
N-{2-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}acetamide
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(2-Aminobenzimidazol-1-yl)-phenylmethanone
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4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (CID 827837) is (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12.
What is the InChIKey of (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The InChIKey is GMQXFPOFNLZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-7-5-11(6-8-12)15(21)20-10-9-19-14-4-2-1-3-13(14)18-16(19)20/h1-8H,9-10H2.
What are the key properties of (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
(4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone has a molecular weight of 297.75 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is sourced from PubChem (CID 827837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).