2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C15H23N3 — CID 54919779

IUPAC2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCc1ccc2c(c1)nc(C(N)C(C)C)n2C(C)C
InChIInChI=1S/C15H23N3/c1-9(2)14(16)15-17-12-8-11(5)6-7-13(12)18(15)10(3)4/h6-10,14H,16H2,1-5H3
InChIKeyNZIXYBPRQFBIGZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds3

About 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 54919779) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID54919779
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCc1ccc2c(c1)nc(C(N)C(C)C)n2C(C)C
InChIInChI=1S/C15H23N3/c1-9(2)14(16)15-17-12-8-11(5)6-7-13(12)18(15)10(3)4/h6-10,14H,16H2,1-5H3
InChIKeyNZIXYBPRQFBIGZ-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 54919779) is 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is Cc1ccc2c(c1)nc(C(N)C(C)C)n2C(C)C.
What is the InChIKey of 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is NZIXYBPRQFBIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-9(2)14(16)15-17-12-8-11(5)6-7-13(12)18(15)10(3)4/h6-10,14H,16H2,1-5H3.
What are the key properties of 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 54919779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).