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

C18H25N3 — CID 82336531

IUPAC2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)C(c1nc2ccc(C)cc2[nH]1)C(C)C
InChIInChI=1S/C18H25N3/c1-6-10-21(11-7-2)17(13(3)4)18-19-15-9-8-14(5)12-16(15)20-18/h6-9,12-13,17H,1-2,10-11H2,3-5H3,(H,19,20)
InChIKeyYZJMXTPFZQGPGH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.24
Rot. Bonds7

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

2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine (PubChem CID 82336531) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
PubChem CID82336531
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)C(c1nc2ccc(C)cc2[nH]1)C(C)C
InChIInChI=1S/C18H25N3/c1-6-10-21(11-7-2)17(13(3)4)18-19-15-9-8-14(5)12-16(15)20-18/h6-9,12-13,17H,1-2,10-11H2,3-5H3,(H,19,20)
InChIKeyYZJMXTPFZQGPGH-UHFFFAOYSA-N
XLogP4.24
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336511
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336369
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82336142
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The IUPAC name of 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine (CID 82336531) is 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine is C=CCN(CC=C)C(c1nc2ccc(C)cc2[nH]1)C(C)C.
What is the InChIKey of 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
The InChIKey is YZJMXTPFZQGPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-6-10-21(11-7-2)17(13(3)4)18-19-15-9-8-14(5)12-16(15)20-18/h6-9,12-13,17H,1-2,10-11H2,3-5H3,(H,19,20).
What are the key properties of 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine?
2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine is sourced from PubChem (CID 82336531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).