(7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone

C16H9BrClN3O — CID 175875963

IUPAC(7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C16H9BrClN3O/c17-11-3-1-2-9-10(7-19-14(9)11)15(22)16-20-12-5-4-8(18)6-13(12)21-16/h1-7,19H,(H,20,21)
InChIKeyLJVDSVFVVCRWTA-UHFFFAOYSA-N
MW374.63 g/mol
LogP4.69
Rot. Bonds2

About (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone

(7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone (PubChem CID 175875963) has the molecular formula C16H9BrClN3O and a molecular weight of 374.63 g/mol. Its IUPAC name is (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone
PubChem CID175875963
Molecular FormulaC16H9BrClN3O
Molecular Weight374.63 g/mol
Exact Mass372.96
IUPAC Name(7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C16H9BrClN3O/c17-11-3-1-2-9-10(7-19-14(9)11)15(22)16-20-12-5-4-8(18)6-13(12)21-16/h1-7,19H,(H,20,21)
InChIKeyLJVDSVFVVCRWTA-UHFFFAOYSA-N
XLogP4.69
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone?
The IUPAC name of (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone (CID 175875963) is (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone is O=C(c1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone?
The InChIKey is LJVDSVFVVCRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClN3O/c17-11-3-1-2-9-10(7-19-14(9)11)15(22)16-20-12-5-4-8(18)6-13(12)21-16/h1-7,19H,(H,20,21).
What are the key properties of (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone?
(7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone has a molecular weight of 374.63 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 175875963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).