1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

C19H19ClN4O — CID 155738990

IUPAC1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCC(=O)N1CCCc2nc(C(C)c3nc4ccc(Cl)cc4[nH]3)ccc21
InChIInChI=1S/C19H19ClN4O/c1-11(19-22-15-6-5-13(20)10-17(15)23-19)14-7-8-18-16(21-14)4-3-9-24(18)12(2)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23)
InChIKeyGBKCJECJEVVHHH-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.06
Rot. Bonds2

About 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (PubChem CID 155738990) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
PubChem CID155738990
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCC(=O)N1CCCc2nc(C(C)c3nc4ccc(Cl)cc4[nH]3)ccc21
InChIInChI=1S/C19H19ClN4O/c1-11(19-22-15-6-5-13(20)10-17(15)23-19)14-7-8-18-16(21-14)4-3-9-24(18)12(2)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23)
InChIKeyGBKCJECJEVVHHH-UHFFFAOYSA-N
XLogP4.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromoethyl)-6-chloro-1H-benzimidazole
CID 82020457
1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one
CID 158634585
N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide
CID 59655261
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(1,4-diazepan-1-yl)benzamide
CID 11154693
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
2-[1-(azepan-1-yl)propyl]-6-chloro-1H-benzimidazole
CID 82336262
N-[1-[5-(3,5-dichlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580335
(3S,4R)-5-(6-chloro-1H-benzimidazol-2-yl)-2,3,4,5-tetrahydroxypentanoic acid
CID 118153860
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(oxazinan-2-yl)benzamide
CID 59711671
2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 154271099
2-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide
CID 146094480
2-methoxyethyl 6-[1-[(4-chlorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580150

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The IUPAC name of 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (CID 155738990) is 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The canonical SMILES for 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is CC(=O)N1CCCc2nc(C(C)c3nc4ccc(Cl)cc4[nH]3)ccc21.
What is the InChIKey of 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The InChIKey is GBKCJECJEVVHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-11(19-22-15-6-5-13(20)10-17(15)23-19)14-7-8-18-16(21-14)4-3-9-24(18)12(2)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23).
What are the key properties of 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone has a molecular weight of 354.84 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is sourced from PubChem (CID 155738990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).