(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone

C17H11BrN2O — CID 82038438

IUPAC(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone
SMILESO=C(C1=C(Br)Cn2c1nc1ccccc12)c1ccccc1
InChIInChI=1S/C17H11BrN2O/c18-12-10-20-14-9-5-4-8-13(14)19-17(20)15(12)16(21)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySJJVDEUTLDHSGR-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.04
Rot. Bonds2

About (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone

(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone (PubChem CID 82038438) has the molecular formula C17H11BrN2O and a molecular weight of 339.19 g/mol. Its IUPAC name is (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone
PubChem CID82038438
Molecular FormulaC17H11BrN2O
Molecular Weight339.19 g/mol
Exact Mass338.01
IUPAC Name(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone
SMILESO=C(C1=C(Br)Cn2c1nc1ccccc12)c1ccccc1
InChIInChI=1S/C17H11BrN2O/c18-12-10-20-14-9-5-4-8-13(14)19-17(20)15(12)16(21)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySJJVDEUTLDHSGR-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanol
CID 82038439
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol
CID 122388801
[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride
CID 173243678
1-phenacylbenzimidazole-2-sulfonic acid
CID 142758042
[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
CID 3059108
N-(2-methylbenzimidazol-1-yl)benzamide
CID 71380365
diphenylmethanone
CID 3102
2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 1483105
N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135508619
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-phenyl-1-(1-phenylethenyl)benzimidazole
CID 15370505

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone?
The IUPAC name of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone (CID 82038438) is (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone?
The canonical SMILES for (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone is O=C(C1=C(Br)Cn2c1nc1ccccc12)c1ccccc1.
What is the InChIKey of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone?
The InChIKey is SJJVDEUTLDHSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O/c18-12-10-20-14-9-5-4-8-13(14)19-17(20)15(12)16(21)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone?
(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone has a molecular weight of 339.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone is sourced from PubChem (CID 82038438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).