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

C17H15ClN4O — CID 177021875

IUPAC(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCc4ncccc4C3)nc2c1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-4-5-13-15(14(10)18)21-16(20-13)17(23)22-8-6-12-11(9-22)3-2-7-19-12/h2-5,7H,6,8-9H2,1H3,(H,20,21)
InChIKeyQERRGBZOMLBMHC-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.12
Rot. Bonds1

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

(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 177021875) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID177021875
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCc4ncccc4C3)nc2c1Cl
InChIInChI=1S/C17H15ClN4O/c1-10-4-5-13-15(14(10)18)21-16(20-13)17(23)22-8-6-12-11(9-22)3-2-7-19-12/h2-5,7H,6,8-9H2,1H3,(H,20,21)
InChIKeyQERRGBZOMLBMHC-UHFFFAOYSA-N
XLogP3.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 177021875) is (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCc4ncccc4C3)nc2c1Cl.
What is the InChIKey of (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is QERRGBZOMLBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-10-4-5-13-15(14(10)18)21-16(20-13)17(23)22-8-6-12-11(9-22)3-2-7-19-12/h2-5,7H,6,8-9H2,1H3,(H,20,21).
What are the key properties of (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 326.79 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 177021875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).