1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine

C17H23N3O — CID 82336369

IUPAC1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)C(CC)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-5-10-20(11-6-2)16(7-3)17-18-14-9-8-13(21-4)12-15(14)19-17/h5-6,8-9,12,16H,1-2,7,10-11H2,3-4H3,(H,18,19)
InChIKeyRRANJSUJBDRVHH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds8

About 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine

1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine (PubChem CID 82336369) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine.

Molecular Properties

Compound Name1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
PubChem CID82336369
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)C(CC)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-5-10-20(11-6-2)16(7-3)17-18-14-9-8-13(21-4)12-15(14)19-17/h5-6,8-9,12,16H,1-2,7,10-11H2,3-4H3,(H,18,19)
InChIKeyRRANJSUJBDRVHH-UHFFFAOYSA-N
XLogP3.70
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The IUPAC name of 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine (CID 82336369) is 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine.
What is the SMILES notation for 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The canonical SMILES for 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine is C=CCN(CC=C)C(CC)c1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The InChIKey is RRANJSUJBDRVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-10-20(11-6-2)16(7-3)17-18-14-9-8-13(21-4)12-15(14)19-17/h5-6,8-9,12,16H,1-2,7,10-11H2,3-4H3,(H,18,19).
What are the key properties of 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine is sourced from PubChem (CID 82336369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).