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

C24H31N5 — CID 91447724

IUPAC(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1ccc2c(n1)[C@@H](NCc1nc3ccccc3n1C[C@H]1CCCNC1)CCC2
InChIInChI=1S/C24H31N5/c1-17-11-12-19-7-4-9-21(24(19)27-17)26-15-23-28-20-8-2-3-10-22(20)29(23)16-18-6-5-13-25-14-18/h2-3,8,10-12,18,21,25-26H,4-7,9,13-16H2,1H3/t18-,21-/m0/s1
InChIKeyOCIQEQDYFRHWDC-RXVVDRJESA-N
MW389.55 g/mol
LogP3.91
Rot. Bonds5

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

(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 91447724) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID91447724
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1ccc2c(n1)[C@@H](NCc1nc3ccccc3n1C[C@H]1CCCNC1)CCC2
InChIInChI=1S/C24H31N5/c1-17-11-12-19-7-4-9-21(24(19)27-17)26-15-23-28-20-8-2-3-10-22(20)29(23)16-18-6-5-13-25-14-18/h2-3,8,10-12,18,21,25-26H,4-7,9,13-16H2,1H3/t18-,21-/m0/s1
InChIKeyOCIQEQDYFRHWDC-RXVVDRJESA-N
XLogP3.91
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 91576148
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
(8S)-N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 69248604
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
[2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid
CID 69248901
3-[(1-propylbenzimidazol-2-yl)methylamino]piperidin-2-one
CID 62093769
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 68868683
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943

Frequently Asked Questions

What is the IUPAC name of (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 91447724) is (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is Cc1ccc2c(n1)[C@@H](NCc1nc3ccccc3n1C[C@H]1CCCNC1)CCC2.
What is the InChIKey of (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is OCIQEQDYFRHWDC-RXVVDRJESA-N. The full InChI is InChI=1S/C24H31N5/c1-17-11-12-19-7-4-9-21(24(19)27-17)26-15-23-28-20-8-2-3-10-22(20)29(23)16-18-6-5-13-25-14-18/h2-3,8,10-12,18,21,25-26H,4-7,9,13-16H2,1H3/t18-,21-/m0/s1.
What are the key properties of (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 389.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 91447724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).