1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine

C15H21N3O — CID 82334391

IUPAC1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
SMILESC=CCn1c(C(N)CCC)nc2cc(OC)ccc21
InChIInChI=1S/C15H21N3O/c1-4-6-12(16)15-17-13-10-11(19-3)7-8-14(13)18(15)9-5-2/h5,7-8,10,12H,2,4,6,9,16H2,1,3H3
InChIKeyUHGVZRGICBCQHB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds6

About 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine

1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine (PubChem CID 82334391) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
PubChem CID82334391
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
SMILESC=CCn1c(C(N)CCC)nc2cc(OC)ccc21
InChIInChI=1S/C15H21N3O/c1-4-6-12(16)15-17-13-10-11(19-3)7-8-14(13)18(15)9-5-2/h5,7-8,10,12H,2,4,6,9,16H2,1,3H3
InChIKeyUHGVZRGICBCQHB-UHFFFAOYSA-N
XLogP3.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine
CID 82334395
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282
2-(chloromethyl)-5-methoxy-1-prop-2-enylbenzimidazole
CID 82334561
1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82333037
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)aniline
CID 82334365
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
CID 82335299
5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
CID 134083831
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)propanoic acid
CID 82334264
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-prop-2-enylbenzimidazole
CID 134084152
2-(1-bromopropyl)-1-ethyl-5-methoxybenzimidazole
CID 82334579
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine (CID 82334391) is 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine is C=CCn1c(C(N)CCC)nc2cc(OC)ccc21.
What is the InChIKey of 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is UHGVZRGICBCQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-6-12(16)15-17-13-10-11(19-3)7-8-14(13)18(15)9-5-2/h5,7-8,10,12H,2,4,6,9,16H2,1,3H3.
What are the key properties of 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine?
1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 82334391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).