2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine

C15H23N3 — CID 65221305

IUPAC2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(C(CC)CN)nc2cc(C)ccc21
InChIInChI=1S/C15H23N3/c1-4-8-18-14-7-6-11(3)9-13(14)17-15(18)12(5-2)10-16/h6-7,9,12H,4-5,8,10,16H2,1-3H3
InChIKeyLUNFVCJDVOHKGI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds5

About 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine

2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine (PubChem CID 65221305) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
PubChem CID65221305
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(C(CC)CN)nc2cc(C)ccc21
InChIInChI=1S/C15H23N3/c1-4-8-18-14-7-6-11(3)9-13(14)17-15(18)12(5-2)10-16/h6-7,9,12H,4-5,8,10,16H2,1-3H3
InChIKeyLUNFVCJDVOHKGI-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine (CID 65221305) is 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine is CCCn1c(C(CC)CN)nc2cc(C)ccc21.
What is the InChIKey of 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is LUNFVCJDVOHKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-8-18-14-7-6-11(3)9-13(14)17-15(18)12(5-2)10-16/h6-7,9,12H,4-5,8,10,16H2,1-3H3.
What are the key properties of 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine?
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 65221305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).