carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine

C13H19LrN3-4 — CID 71122962

IUPACcarbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine
SMILESCN1C=CN(c2[c-]cc(CN)cc2)[CH-]1.[CH3-].[CH3-].[Lr]
InChIInChI=1S/C11H13N3.2CH3.Lr/c1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11;;;/h2-4,6-7,9H,8,12H2,1H3;2*1H3;/q-2;2*-1;
InChIKeyTXFNXFAQYJKKLU-UHFFFAOYSA-N
MW479.32 g/mol
LogP2.19
Rot. Bonds2

About carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine

carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine (PubChem CID 71122962) has the molecular formula C13H19LrN3-4 and a molecular weight of 479.32 g/mol. Its IUPAC name is carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine.

Molecular Properties

Compound Namecarbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine
PubChem CID71122962
Molecular FormulaC13H19LrN3-4
Molecular Weight479.32 g/mol
Exact Mass479.27
IUPAC Namecarbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine
SMILESCN1C=CN(c2[c-]cc(CN)cc2)[CH-]1.[CH3-].[CH3-].[Lr]
InChIInChI=1S/C11H13N3.2CH3.Lr/c1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11;;;/h2-4,6-7,9H,8,12H2,1H3;2*1H3;/q-2;2*-1;
InChIKeyTXFNXFAQYJKKLU-UHFFFAOYSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine?
The IUPAC name of carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine (CID 71122962) is carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine.
What is the SMILES notation for carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine?
The canonical SMILES for carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine is CN1C=CN(c2[c-]cc(CN)cc2)[CH-]1.[CH3-].[CH3-].[Lr].
What is the InChIKey of carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine?
The InChIKey is TXFNXFAQYJKKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2CH3.Lr/c1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11;;;/h2-4,6-7,9H,8,12H2,1H3;2*1H3;/q-2;2*-1;.
What are the key properties of carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine?
carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine has a molecular weight of 479.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine is sourced from PubChem (CID 71122962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).