3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine

C18H17N3 — CID 70652136

IUPAC3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESCC(C)(C)c1ccc2c(ccn3c4ccccc4nc23)n1
InChIInChI=1S/C18H17N3/c1-18(2,3)16-9-8-12-13(19-16)10-11-21-15-7-5-4-6-14(15)20-17(12)21/h4-11H,1-3H3
InChIKeyAJTVQFOFEWKZQU-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.33
Rot. Bonds

About 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine

3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine (PubChem CID 70652136) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine
PubChem CID70652136
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESCC(C)(C)c1ccc2c(ccn3c4ccccc4nc23)n1
InChIInChI=1S/C18H17N3/c1-18(2,3)16-9-8-12-13(19-16)10-11-21-15-7-5-4-6-14(15)20-17(12)21/h4-11H,1-3H3
InChIKeyAJTVQFOFEWKZQU-UHFFFAOYSA-N
XLogP4.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene
CID 70652142
9-tert-butyl-3,4-dimethylpyrimido[2,1-f][1,6]naphthyridin-2-one
CID 90254268
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
8-tert-butyl-3,7,13-triazaheptacyclo[14.6.6.02,15.03,12.06,11.017,22.023,28]octacosa-2(15),4,6(11),7,9,12,17,19,21,23,25,27-dodecaen-14-one
CID 90254300
9-tert-butyl-3-ethyl-4-methylpyrimido[2,1-f][1,6]naphthyridin-2-one
CID 90254271
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
8-tert-butyl-16,19-dimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6(11),7,9,12-hexaen-14-one;ethane
CID 144648443
7-tert-butyl-3,10-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 58517904
2-methoxybenzimidazolo[2,1-a]isoquinoline
CID 134847544
3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 89476295
2-tert-butylquinoline;methane
CID 164995315
butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine?
The IUPAC name of 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine (CID 70652136) is 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine is CC(C)(C)c1ccc2c(ccn3c4ccccc4nc23)n1.
What is the InChIKey of 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine?
The InChIKey is AJTVQFOFEWKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-18(2,3)16-9-8-12-13(19-16)10-11-21-15-7-5-4-6-14(15)20-17(12)21/h4-11H,1-3H3.
What are the key properties of 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine?
3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine has a molecular weight of 275.36 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 70652136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).