N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine

C20H25N5 — CID 10308735

IUPACN'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
SMILESNCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C20H25N5/c21-11-5-13-25(14-19-23-16-8-1-2-9-17(16)24-19)18-10-3-6-15-7-4-12-22-20(15)18/h1-2,4,7-9,12,18H,3,5-6,10-11,13-14,21H2,(H,23,24)
InChIKeyNNMQETMRHZSGJH-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.19
Rot. Bonds6

About N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine

N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine (PubChem CID 10308735) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
PubChem CID10308735
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC NameN'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
SMILESNCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C20H25N5/c21-11-5-13-25(14-19-23-16-8-1-2-9-17(16)24-19)18-10-3-6-15-7-4-12-22-20(15)18/h1-2,4,7-9,12,18H,3,5-6,10-11,13-14,21H2,(H,23,24)
InChIKeyNNMQETMRHZSGJH-UHFFFAOYSA-N
XLogP3.19
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine (CID 10308735) is N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine is NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
The InChIKey is NNMQETMRHZSGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c21-11-5-13-25(14-19-23-16-8-1-2-9-17(16)24-19)18-10-3-6-15-7-4-12-22-20(15)18/h1-2,4,7-9,12,18H,3,5-6,10-11,13-14,21H2,(H,23,24).
What are the key properties of N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine has a molecular weight of 335.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine is sourced from PubChem (CID 10308735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).