N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine

C18H19N3O — CID 975441

IUPACN-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
SMILESC=CCn1c(NCc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H19N3O/c1-3-12-21-17-7-5-4-6-16(17)20-18(21)19-13-14-8-10-15(22-2)11-9-14/h3-11H,1,12-13H2,2H3,(H,19,20)
InChIKeySWIVYQUTPQGRRH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.84
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine

N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine (PubChem CID 975441) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
PubChem CID975441
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
SMILESC=CCn1c(NCc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H19N3O/c1-3-12-21-17-7-5-4-6-16(17)20-18(21)19-13-14-8-10-15(22-2)11-9-14/h3-11H,1,12-13H2,2H3,(H,19,20)
InChIKeySWIVYQUTPQGRRH-UHFFFAOYSA-N
XLogP3.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine (CID 975441) is N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine is C=CCn1c(NCc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine?
The InChIKey is SWIVYQUTPQGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-12-21-17-7-5-4-6-16(17)20-18(21)19-13-14-8-10-15(22-2)11-9-14/h3-11H,1,12-13H2,2H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine?
N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine is sourced from PubChem (CID 975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).