(7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide

C19H19BrN2O2 — CID 158435806

IUPAC(7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide
SMILESBr.CC(=O)OC1CC(c2ccccc2)n2c1nc1ccc(C)cc12
InChIInChI=1S/C19H18N2O2.BrH/c1-12-8-9-15-17(10-12)21-16(14-6-4-3-5-7-14)11-18(19(21)20-15)23-13(2)22;/h3-10,16,18H,11H2,1-2H3;1H
InChIKeyRGJVGPKGMDXKKI-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.52
Rot. Bonds2

About (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide

(7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide (PubChem CID 158435806) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide.

Molecular Properties

Compound Name(7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide
PubChem CID158435806
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide
SMILESBr.CC(=O)OC1CC(c2ccccc2)n2c1nc1ccc(C)cc12
InChIInChI=1S/C19H18N2O2.BrH/c1-12-8-9-15-17(10-12)21-16(14-6-4-3-5-7-14)11-18(19(21)20-15)23-13(2)22;/h3-10,16,18H,11H2,1-2H3;1H
InChIKeyRGJVGPKGMDXKKI-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3S,4S)-1-(hydroxymethyl)-8-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-2,3,4-triol
CID 102168861
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
(1-acetyl-2,3,6-triphenylpiperidin-4-yl) acetate
CID 539205
(2S,4R)-4-(3-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136671486
7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
CID 118156450
1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
(1R)-18-(difluoromethoxy)-5,12-dimethyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one;ethane
CID 171806201
7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135399887
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
4-(3-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-2-carboxylic acid
CID 137305356
(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
CID 4055527

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide?
The IUPAC name of (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide (CID 158435806) is (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide.
What is the SMILES notation for (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide?
The canonical SMILES for (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide is Br.CC(=O)OC1CC(c2ccccc2)n2c1nc1ccc(C)cc12.
What is the InChIKey of (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide?
The InChIKey is RGJVGPKGMDXKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.BrH/c1-12-8-9-15-17(10-12)21-16(14-6-4-3-5-7-14)11-18(19(21)20-15)23-13(2)22;/h3-10,16,18H,11H2,1-2H3;1H.
What are the key properties of (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide?
(7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide has a molecular weight of 387.28 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate;hydrobromide is sourced from PubChem (CID 158435806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).