[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium

C18H17N5Y-2 — CID 59551873

IUPAC[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium
SMILES[CH3-].[NH-]c1ccc2c(NCc3ccc4nc[nH]c4c3)cccc2n1.[Y]
InChIInChI=1S/C17H14N5.CH3.Y/c18-17-7-5-12-13(2-1-3-14(12)22-17)19-9-11-4-6-15-16(8-11)21-10-20-15;;/h1-8,10,19H,9H2,(H2-,18,20,21,22);1H3;/q2*-1;
InChIKeyKUIGSZMAUQLBSY-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.85
Rot. Bonds3

About [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium

[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium (PubChem CID 59551873) has the molecular formula C18H17N5Y-2 and a molecular weight of 392.28 g/mol. Its IUPAC name is [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium.

Molecular Properties

Compound Name[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium
PubChem CID59551873
Molecular FormulaC18H17N5Y-2
Molecular Weight392.28 g/mol
Exact Mass392.06
IUPAC Name[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium
SMILES[CH3-].[NH-]c1ccc2c(NCc3ccc4nc[nH]c4c3)cccc2n1.[Y]
InChIInChI=1S/C17H14N5.CH3.Y/c18-17-7-5-12-13(2-1-3-14(12)22-17)19-9-11-4-6-15-16(8-11)21-10-20-15;;/h1-8,10,19H,9H2,(H2-,18,20,21,22);1H3;/q2*-1;
InChIKeyKUIGSZMAUQLBSY-UHFFFAOYSA-N
XLogP4.85
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-2-(4-fluorophenyl)pyridin-3-amine
CID 135347418
N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
CID 88890559
N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline
CID 135347401
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 141086275
N-benzyl-3H-benzimidazol-5-amine
CID 53441479
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine
CID 135347411
N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline
CID 135347319
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
CID 142440503
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 126836079

Frequently Asked Questions

What is the IUPAC name of [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium?
The IUPAC name of [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium (CID 59551873) is [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium.
What is the SMILES notation for [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium?
The canonical SMILES for [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium is [CH3-].[NH-]c1ccc2c(NCc3ccc4nc[nH]c4c3)cccc2n1.[Y].
What is the InChIKey of [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium?
The InChIKey is KUIGSZMAUQLBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N5.CH3.Y/c18-17-7-5-12-13(2-1-3-14(12)22-17)19-9-11-4-6-15-16(8-11)21-10-20-15;;/h1-8,10,19H,9H2,(H2-,18,20,21,22);1H3;/q2*-1;.
What are the key properties of [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium?
[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium has a molecular weight of 392.28 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium is sourced from PubChem (CID 59551873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).