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

C23H28N6 — CID 126714291

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC1=C(CCCN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)NCN1
InChIInChI=1S/C23H28N6/c1-2-10-20-19(9-1)27-22(28-20)15-29(13-5-8-18-14-24-16-26-18)21-11-3-6-17-7-4-12-25-23(17)21/h1-2,4,7,9-10,12,14,21,24,26H,3,5-6,8,11,13,15-16H2,(H,27,28)
InChIKeyMUAGJAXUAGPQEV-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.61
Rot. Bonds7

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

N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 126714291) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID126714291
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC1=C(CCCN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)NCN1
InChIInChI=1S/C23H28N6/c1-2-10-20-19(9-1)27-22(28-20)15-29(13-5-8-18-14-24-16-26-18)21-11-3-6-17-7-4-12-25-23(17)21/h1-2,4,7,9-10,12,14,21,24,26H,3,5-6,8,11,13,15-16H2,(H,27,28)
InChIKeyMUAGJAXUAGPQEV-UHFFFAOYSA-N
XLogP3.61
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 161376740
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 20747305
3-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propylurea
CID 59694175
N'-(1H-benzimidazol-2-ylmethyl)-N-(pyrimidin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;methane
CID 157089610
2-[4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butyl]isoindole-1,3-dione
CID 69178712
methyl 4-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]butanimidate;hydrochloride
CID 141259205
(Z)-N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
CID 59694180
N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 167559113
N'-[(5-deuterio-1H-benzimidazol-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 162702137
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-(nitrosomethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91107225
N'-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 69177603

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 126714291) is N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine is C1=C(CCCN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)NCN1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MUAGJAXUAGPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-2-10-20-19(9-1)27-22(28-20)15-29(13-5-8-18-14-24-16-26-18)21-11-3-6-17-7-4-12-25-23(17)21/h1-2,4,7,9-10,12,14,21,24,26H,3,5-6,8,11,13,15-16H2,(H,27,28).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 388.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 126714291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).