N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine

C19H28N4O — CID 134084141

IUPACN-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
SMILESC=CCn1c(CNCCN2CCCCC2)nc2cc(OC)ccc21
InChIInChI=1S/C19H28N4O/c1-3-10-23-18-8-7-16(24-2)14-17(18)21-19(23)15-20-9-13-22-11-5-4-6-12-22/h3,7-8,14,20H,1,4-6,9-13,15H2,2H3
InChIKeyGLTZPDVLDNYOOP-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.81
Rot. Bonds8

About N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine

N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 134084141) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID134084141
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
SMILESC=CCn1c(CNCCN2CCCCC2)nc2cc(OC)ccc21
InChIInChI=1S/C19H28N4O/c1-3-10-23-18-8-7-16(24-2)14-17(18)21-19(23)15-20-9-13-22-11-5-4-6-12-22/h3,7-8,14,20H,1,4-6,9-13,15H2,2H3
InChIKeyGLTZPDVLDNYOOP-UHFFFAOYSA-N
XLogP2.81
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine (CID 134084141) is N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine is C=CCn1c(CNCCN2CCCCC2)nc2cc(OC)ccc21.
What is the InChIKey of N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is GLTZPDVLDNYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-10-23-18-8-7-16(24-2)14-17(18)21-19(23)15-20-9-13-22-11-5-4-6-12-22/h3,7-8,14,20H,1,4-6,9-13,15H2,2H3.
What are the key properties of N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 328.46 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 134084141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).