4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine

C17H25N3 — CID 79750073

IUPAC4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H25N3/c1-4-11-18-12-7-8-14(2)13-17-19-15-9-5-6-10-16(15)20(17)3/h5-6,8-10,18H,4,7,11-13H2,1-3H3
InChIKeyQRHAMMFVWCGIHN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.45
Rot. Bonds7

About 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine

4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine (PubChem CID 79750073) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine
PubChem CID79750073
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H25N3/c1-4-11-18-12-7-8-14(2)13-17-19-15-9-5-6-10-16(15)20(17)3/h5-6,8-10,18H,4,7,11-13H2,1-3H3
InChIKeyQRHAMMFVWCGIHN-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-propylguanidine;hydroiodide
CID 111227832
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine (CID 79750073) is 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine is CCCNCCC=C(C)Cc1nc2ccccc2n1C.
What is the InChIKey of 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine?
The InChIKey is QRHAMMFVWCGIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-11-18-12-7-8-14(2)13-17-19-15-9-5-6-10-16(15)20(17)3/h5-6,8-10,18H,4,7,11-13H2,1-3H3.
What are the key properties of 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine?
4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylbenzimidazol-2-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79750073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).