N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C23H31N5 — CID 11538107

IUPACN-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(C)CCCc1cccc2[nH]c(CN(C)C3CCCc4cccnc43)nc12
InChIInChI=1S/C23H31N5/c1-27(2)15-7-11-17-8-4-12-19-22(17)26-21(25-19)16-28(3)20-13-5-9-18-10-6-14-24-23(18)20/h4,6,8,10,12,14,20H,5,7,9,11,13,15-16H2,1-3H3,(H,25,26)
InChIKeyTXSSWGGJUUVKKX-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.96
Rot. Bonds7

About N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11538107) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11538107
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(C)CCCc1cccc2[nH]c(CN(C)C3CCCc4cccnc43)nc12
InChIInChI=1S/C23H31N5/c1-27(2)15-7-11-17-8-4-12-19-22(17)26-21(25-19)16-28(3)20-13-5-9-18-10-6-14-24-23(18)20/h4,6,8,10,12,14,20H,5,7,9,11,13,15-16H2,1-3H3,(H,25,26)
InChIKeyTXSSWGGJUUVKKX-UHFFFAOYSA-N
XLogP3.96
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 11538107) is N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(C)CCCc1cccc2[nH]c(CN(C)C3CCCc4cccnc43)nc12.
What is the InChIKey of N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is TXSSWGGJUUVKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-27(2)15-7-11-17-8-4-12-19-22(17)26-21(25-19)16-28(3)20-13-5-9-18-10-6-14-24-23(18)20/h4,6,8,10,12,14,20H,5,7,9,11,13,15-16H2,1-3H3,(H,25,26).
What are the key properties of N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 377.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).