(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C16H12BrClN4O — CID 177021891

IUPAC(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1nc2c(Cl)c(Br)ccc2[nH]1)N1CCc2ncccc2C1
InChIInChI=1S/C16H12BrClN4O/c17-10-3-4-12-14(13(10)18)21-15(20-12)16(23)22-7-5-11-9(8-22)2-1-6-19-11/h1-4,6H,5,7-8H2,(H,20,21)
InChIKeyFQYCXEZXKQDFME-UHFFFAOYSA-N
MW391.66 g/mol
LogP3.57
Rot. Bonds1

About (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 177021891) has the molecular formula C16H12BrClN4O and a molecular weight of 391.66 g/mol. Its IUPAC name is (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID177021891
Molecular FormulaC16H12BrClN4O
Molecular Weight391.66 g/mol
Exact Mass389.99
IUPAC Name(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1nc2c(Cl)c(Br)ccc2[nH]1)N1CCc2ncccc2C1
InChIInChI=1S/C16H12BrClN4O/c17-10-3-4-12-14(13(10)18)21-15(20-12)16(23)22-7-5-11-9(8-22)2-1-6-19-11/h1-4,6H,5,7-8H2,(H,20,21)
InChIKeyFQYCXEZXKQDFME-UHFFFAOYSA-N
XLogP3.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 177021875
(4-chloro-5-ethyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 177021946
(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane
CID 177021783
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 115752999
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323469
(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 103830275
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 177021891) is (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(c1nc2c(Cl)c(Br)ccc2[nH]1)N1CCc2ncccc2C1.
What is the InChIKey of (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is FQYCXEZXKQDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O/c17-10-3-4-12-14(13(10)18)21-15(20-12)16(23)22-7-5-11-9(8-22)2-1-6-19-11/h1-4,6H,5,7-8H2,(H,20,21).
What are the key properties of (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 391.66 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 177021891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).