2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine

C23H23N5 — CID 141182303

IUPAC2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine
SMILESNc1ccccc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H23N5/c24-17-9-1-4-12-20(17)28(15-22-26-18-10-2-3-11-19(18)27-22)21-13-5-7-16-8-6-14-25-23(16)21/h1-4,6,8-12,14,21H,5,7,13,15,24H2,(H,26,27)
InChIKeyNCBKFFNPIHYAME-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.62
Rot. Bonds4

About 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine

2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine (PubChem CID 141182303) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine
PubChem CID141182303
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine
SMILESNc1ccccc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H23N5/c24-17-9-1-4-12-20(17)28(15-22-26-18-10-2-3-11-19(18)27-22)21-13-5-7-16-8-6-14-25-23(16)21/h1-4,6,8-12,14,21H,5,7,13,15,24H2,(H,26,27)
InChIKeyNCBKFFNPIHYAME-UHFFFAOYSA-N
XLogP4.62
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 46204207
N-[2-(aminomethyl)-3-methoxyphenyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 141182293
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 20747305
(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-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 68973686
N-(1H-benzimidazol-2-ylmethyl)-N-[4-(1,3-oxazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 141182348
N'-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 69177603
N-[[3-(aminomethyl)pyrazin-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53324533
(8S)-N-[[(1S,2S)-2-(aminomethyl)cyclopropyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 138722741
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)-2-methoxy-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;methane
CID 160548314
2-(aminomethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ene-1,4-diamine
CID 10172625

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine (CID 141182303) is 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine is Nc1ccccc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine?
The InChIKey is NCBKFFNPIHYAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c24-17-9-1-4-12-20(17)28(15-22-26-18-10-2-3-11-19(18)27-22)21-13-5-7-16-8-6-14-25-23(16)21/h1-4,6,8-12,14,21H,5,7,13,15,24H2,(H,26,27).
What are the key properties of 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine?
2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine has a molecular weight of 369.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-benzimidazol-2-ylmethyl)-2-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzene-1,2-diamine is sourced from PubChem (CID 141182303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).