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

C23H31N5 — CID 11530954

IUPACN-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(C)CCCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
InChIInChI=1S/C23H31N5/c1-26(2)15-8-16-28-20-12-5-4-11-19(20)25-22(28)17-27(3)21-13-6-9-18-10-7-14-24-23(18)21/h4-5,7,10-12,14,21H,6,8-9,13,15-17H2,1-3H3
InChIKeyJEPDGRCNPREMJT-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.89
Rot. Bonds7

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

N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11530954) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11530954
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(C)CCCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
InChIInChI=1S/C23H31N5/c1-26(2)15-8-16-28-20-12-5-4-11-19(20)25-22(28)17-27(3)21-13-6-9-18-10-7-14-24-23(18)21/h4-5,7,10-12,14,21H,6,8-9,13,15-17H2,1-3H3
InChIKeyJEPDGRCNPREMJT-UHFFFAOYSA-N
XLogP3.89
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 11530954) is N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(C)CCCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21.
What is the InChIKey of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JEPDGRCNPREMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-26(2)15-8-16-28-20-12-5-4-11-19(20)25-22(28)17-27(3)21-13-6-9-18-10-7-14-24-23(18)21/h4-5,7,10-12,14,21H,6,8-9,13,15-17H2,1-3H3.
What are the key properties of N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 377.54 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11530954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).