3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine

C18H29N3 — CID 82333059

IUPAC3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
SMILESCCCCCn1c(C(N)CC(C)C)nc2cc(C)ccc21
InChIInChI=1S/C18H29N3/c1-5-6-7-10-21-17-9-8-14(4)12-16(17)20-18(21)15(19)11-13(2)3/h8-9,12-13,15H,5-7,10-11,19H2,1-4H3
InChIKeyWKQIHVAVGBMNCJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.58
Rot. Bonds7

About 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine

3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine (PubChem CID 82333059) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
PubChem CID82333059
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
SMILESCCCCCn1c(C(N)CC(C)C)nc2cc(C)ccc21
InChIInChI=1S/C18H29N3/c1-5-6-7-10-21-17-9-8-14(4)12-16(17)20-18(21)15(19)11-13(2)3/h8-9,12-13,15H,5-7,10-11,19H2,1-4H3
InChIKeyWKQIHVAVGBMNCJ-UHFFFAOYSA-N
XLogP4.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333098
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
4-[2-(1-aminoethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333004
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine (CID 82333059) is 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine is CCCCCn1c(C(N)CC(C)C)nc2cc(C)ccc21.
What is the InChIKey of 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is WKQIHVAVGBMNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-6-7-10-21-17-9-8-14(4)12-16(17)20-18(21)15(19)11-13(2)3/h8-9,12-13,15H,5-7,10-11,19H2,1-4H3.
What are the key properties of 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine?
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 82333059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).