4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide

C17H16BrN3O2 — CID 155555618

IUPAC4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
SMILESBr.O=C(O)c1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C17H15N3O2.BrH/c21-16(22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-17(19)20;/h1-8H,9-11H2,(H,21,22);1H
InChIKeyGQKMODJVFQCXTG-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.16
Rot. Bonds3

About 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide

4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide (PubChem CID 155555618) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide.

Molecular Properties

Compound Name4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
PubChem CID155555618
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
SMILESBr.O=C(O)c1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C17H15N3O2.BrH/c21-16(22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-17(19)20;/h1-8H,9-11H2,(H,21,22);1H
InChIKeyGQKMODJVFQCXTG-UHFFFAOYSA-N
XLogP3.16
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide?
The IUPAC name of 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide (CID 155555618) is 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide.
What is the SMILES notation for 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide?
The canonical SMILES for 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide is Br.O=C(O)c1ccc(CN2C3=NCCN3c3ccccc32)cc1.
What is the InChIKey of 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide?
The InChIKey is GQKMODJVFQCXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.BrH/c21-16(22)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-17(19)20;/h1-8H,9-11H2,(H,21,22);1H.
What are the key properties of 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide?
4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide has a molecular weight of 374.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide is sourced from PubChem (CID 155555618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).