2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine

C19H18FN5 — CID 152633528

IUPAC2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine
SMILESFc1cc2ccc3nc4ccccc4n3c2nc1N1CCCNCC1
InChIInChI=1S/C19H18FN5/c20-14-12-13-6-7-17-22-15-4-1-2-5-16(15)25(17)18(13)23-19(14)24-10-3-8-21-9-11-24/h1-2,4-7,12,21H,3,8-11H2
InChIKeyZEAPFEFUPDAJET-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.97
Rot. Bonds1

About 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine

2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine (PubChem CID 152633528) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine
PubChem CID152633528
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine
SMILESFc1cc2ccc3nc4ccccc4n3c2nc1N1CCCNCC1
InChIInChI=1S/C19H18FN5/c20-14-12-13-6-7-17-22-15-4-1-2-5-16(15)25(17)18(13)23-19(14)24-10-3-8-21-9-11-24/h1-2,4-7,12,21H,3,8-11H2
InChIKeyZEAPFEFUPDAJET-UHFFFAOYSA-N
XLogP2.97
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 118509848
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
CID 71643070
2-(3,5-dimethylpiperazin-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylic acid
CID 122511351
2-methoxybenzimidazolo[1,2-a]quinoline
CID 11521634
2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 122511370
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
CID 86583903
1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepane
CID 114697184
1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 838791
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole
CID 19957526

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine?
The IUPAC name of 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine (CID 152633528) is 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine is Fc1cc2ccc3nc4ccccc4n3c2nc1N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine?
The InChIKey is ZEAPFEFUPDAJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5/c20-14-12-13-6-7-17-22-15-4-1-2-5-16(15)25(17)18(13)23-19(14)24-10-3-8-21-9-11-24/h1-2,4-7,12,21H,3,8-11H2.
What are the key properties of 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine?
2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine has a molecular weight of 335.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-3-fluorobenzimidazolo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 152633528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).