(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine

C20H19N3 — CID 89086835

IUPAC(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C(/N)n1c(-c2ccccc2)nc2cc(C)ccc21
InChIInChI=1S/C20H19N3/c1-3-4-6-11-19(21)23-18-13-12-15(2)14-17(18)22-20(23)16-9-7-5-8-10-16/h3-14H,1,21H2,2H3/b6-4-,19-11+
InChIKeyZUTWJRUTLBIVJX-HDPPBIOQSA-N
MW301.39 g/mol
LogP4.51
Rot. Bonds4

About (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine

(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine (PubChem CID 89086835) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine
PubChem CID89086835
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C(/N)n1c(-c2ccccc2)nc2cc(C)ccc21
InChIInChI=1S/C20H19N3/c1-3-4-6-11-19(21)23-18-13-12-15(2)14-17(18)22-20(23)16-9-7-5-8-10-16/h3-14H,1,21H2,2H3/b6-4-,19-11+
InChIKeyZUTWJRUTLBIVJX-HDPPBIOQSA-N
XLogP4.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine (CID 89086835) is (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine is C=C/C=C\C=C(/N)n1c(-c2ccccc2)nc2cc(C)ccc21.
What is the InChIKey of (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is ZUTWJRUTLBIVJX-HDPPBIOQSA-N. The full InChI is InChI=1S/C20H19N3/c1-3-4-6-11-19(21)23-18-13-12-15(2)14-17(18)22-20(23)16-9-7-5-8-10-16/h3-14H,1,21H2,2H3/b6-4-,19-11+.
What are the key properties of (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine?
(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 301.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89086835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).