2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C22H27N5 — CID 91576148

IUPAC2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCNC1CCCc2ccc(Cc3nc4ccccc4n3CC3CNC3)nc21
InChIInChI=1S/C22H27N5/c1-23-19-7-4-5-16-9-10-17(25-22(16)19)11-21-26-18-6-2-3-8-20(18)27(21)14-15-12-24-13-15/h2-3,6,8-10,15,19,23-24H,4-5,7,11-14H2,1H3
InChIKeyDGNCOSCHIFIRNK-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.84
Rot. Bonds5

About 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 91576148) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID91576148
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCNC1CCCc2ccc(Cc3nc4ccccc4n3CC3CNC3)nc21
InChIInChI=1S/C22H27N5/c1-23-19-7-4-5-16-9-10-17(25-22(16)19)11-21-26-18-6-2-3-8-20(18)27(21)14-15-12-24-13-15/h2-3,6,8-10,15,19,23-24H,4-5,7,11-14H2,1H3
InChIKeyDGNCOSCHIFIRNK-UHFFFAOYSA-N
XLogP2.84
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91447724
2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 68868683
2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 91461003
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525997
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
(8S)-N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 69248604
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
N-methyl-N-[[1-[[(3S)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525984
ethane;N-methyl-1-[1-[(1-propan-2-ylpiperidin-3-yl)methyl]benzimidazol-2-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 143187016
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
CID 107391401

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 91576148) is 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CNC1CCCc2ccc(Cc3nc4ccccc4n3CC3CNC3)nc21.
What is the InChIKey of 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is DGNCOSCHIFIRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-23-19-7-4-5-16-9-10-17(25-22(16)19)11-21-26-18-6-2-3-8-20(18)27(21)14-15-12-24-13-15/h2-3,6,8-10,15,19,23-24H,4-5,7,11-14H2,1H3.
What are the key properties of 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 361.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 91576148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).