N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine

C24H24N4 — CID 20747305

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1
InChIInChI=1S/C24H24N4/c1-2-8-18(9-3-1)16-28(17-23-26-20-12-4-5-13-21(20)27-23)22-14-6-10-19-11-7-15-25-24(19)22/h1-5,7-9,11-13,15,22H,6,10,14,16-17H2,(H,26,27)
InChIKeyQVMXTBAUYRJPOQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.04
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine

N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 20747305) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID20747305
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1
InChIInChI=1S/C24H24N4/c1-2-8-18(9-3-1)16-28(17-23-26-20-12-4-5-13-21(20)27-23)22-14-6-10-19-11-7-15-25-24(19)22/h1-5,7-9,11-13,15,22H,6,10,14,16-17H2,(H,26,27)
InChIKeyQVMXTBAUYRJPOQ-UHFFFAOYSA-N
XLogP5.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-[[4-(nitrosomethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91107225
N-[[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-N-methylbenzenesulfonamide
CID 10166187
N-(1H-benzimidazol-2-ylmethyl)-N-[(4-thiophen-2-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22719801
(Z)-N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
CID 59694180
N-[[4-[amino(pyridin-2-yl)methyl]phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 68973363
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(1H-imidazol-2-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22018604
N-[[3-(aminomethyl)pyrazin-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53324533
N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 139988569
2-[[[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methylamino]methyl]phenol;hydrobromide
CID 69328851
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(1H-pyrazol-5-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 69328594
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 166508327

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 20747305) is N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine is c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is QVMXTBAUYRJPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-2-8-18(9-3-1)16-28(17-23-26-20-12-4-5-13-21(20)27-23)22-14-6-10-19-11-7-15-25-24(19)22/h1-5,7-9,11-13,15,22H,6,10,14,16-17H2,(H,26,27).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 368.48 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 20747305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).