6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine

C16H14BrN3O — CID 65344912

IUPAC6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CC1Cc2ccccc2O1
InChIInChI=1S/C16H14BrN3O/c17-11-5-6-13-14(8-11)20(16(18)19-13)9-12-7-10-3-1-2-4-15(10)21-12/h1-6,8,12H,7,9H2,(H2,18,19)
InChIKeyGVQINEIBMNIITC-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.38
Rot. Bonds2

About 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine

6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine (PubChem CID 65344912) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine
PubChem CID65344912
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CC1Cc2ccccc2O1
InChIInChI=1S/C16H14BrN3O/c17-11-5-6-13-14(8-11)20(16(18)19-13)9-12-7-10-3-1-2-4-15(10)21-12/h1-6,8,12H,7,9H2,(H2,18,19)
InChIKeyGVQINEIBMNIITC-UHFFFAOYSA-N
XLogP3.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140889
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
CID 65344571
2-(chloromethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79274455
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine
CID 71116203
6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 65346977
5-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-benzoxazol-2-one
CID 66365523
2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79274865
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-chlorobenzimidazol-2-amine
CID 115470692
2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine (CID 65344912) is 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1CC1Cc2ccccc2O1.
What is the InChIKey of 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is GVQINEIBMNIITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-11-5-6-13-14(8-11)20(16(18)19-13)9-12-7-10-3-1-2-4-15(10)21-12/h1-6,8,12H,7,9H2,(H2,18,19).
What are the key properties of 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine?
6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 344.21 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 65344912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).