6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine

C20H19N3 — CID 62707657

IUPAC6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESc1ccc2c(c1)nc1c3cccnc3cc(C3CCCCC3)n21
InChIInChI=1S/C20H19N3/c1-2-7-14(8-3-1)19-13-17-15(9-6-12-21-17)20-22-16-10-4-5-11-18(16)23(19)20/h4-6,9-14H,1-3,7-8H2
InChIKeyJADQZPSFNUWRJU-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.08
Rot. Bonds1

About 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine

6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine (PubChem CID 62707657) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine
PubChem CID62707657
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESc1ccc2c(c1)nc1c3cccnc3cc(C3CCCCC3)n21
InChIInChI=1S/C20H19N3/c1-2-7-14(8-3-1)19-13-17-15(9-6-12-21-17)20-22-16-10-4-5-11-18(16)23(19)20/h4-6,9-14H,1-3,7-8H2
InChIKeyJADQZPSFNUWRJU-UHFFFAOYSA-N
XLogP5.08
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-cyclohexyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 118440326
6-cyclopropylbenzimidazolo[1,2-c]quinazoline
CID 70651535
6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 62707655
19-chloro-3,10,15-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 71229593
3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18(23),19,21,24-dodecaene
CID 135264608
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline
CID 70651167
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
7,17-diphenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaene
CID 140956283
4-cyclopentylquinoline
CID 57273226
6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline
CID 7149454
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine?
The IUPAC name of 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine (CID 62707657) is 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine is c1ccc2c(c1)nc1c3cccnc3cc(C3CCCCC3)n21.
What is the InChIKey of 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine?
The InChIKey is JADQZPSFNUWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-2-7-14(8-3-1)19-13-17-15(9-6-12-21-17)20-22-16-10-4-5-11-18(16)23(19)20/h4-6,9-14H,1-3,7-8H2.
What are the key properties of 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine?
6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine has a molecular weight of 301.39 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 62707657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).