[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine

C18H20N4 — CID 142258246

IUPAC[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(CN3CCCc4ccccc43)[nH]c2c1
InChIInChI=1S/C18H20N4/c19-11-13-7-8-15-16(10-13)21-18(20-15)12-22-9-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-8,10H,3,5,9,11-12,19H2,(H,20,21)
InChIKeyVWMWZEUAJOKNSS-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.97
Rot. Bonds3

About [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine

[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 142258246) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID142258246
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(CN3CCCc4ccccc43)[nH]c2c1
InChIInChI=1S/C18H20N4/c19-11-13-7-8-15-16(10-13)21-18(20-15)12-22-9-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-8,10H,3,5,9,11-12,19H2,(H,20,21)
InChIKeyVWMWZEUAJOKNSS-UHFFFAOYSA-N
XLogP2.97
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine (CID 142258246) is [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(CN3CCCc4ccccc43)[nH]c2c1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is VWMWZEUAJOKNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-11-13-7-8-15-16(10-13)21-18(20-15)12-22-9-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-8,10H,3,5,9,11-12,19H2,(H,20,21).
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine?
[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 142258246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).