(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine

C15H21N3 — CID 65037850

IUPAC(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
SMILESCC(C)n1c(C2CCC2)nc2cc(CN)ccc21
InChIInChI=1S/C15H21N3/c1-10(2)18-14-7-6-11(9-16)8-13(14)17-15(18)12-4-3-5-12/h6-8,10,12H,3-5,9,16H2,1-2H3
InChIKeyGMGBCNFNLFRKPE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.34
Rot. Bonds3

About (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine

(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine (PubChem CID 65037850) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
PubChem CID65037850
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
SMILESCC(C)n1c(C2CCC2)nc2cc(CN)ccc21
InChIInChI=1S/C15H21N3/c1-10(2)18-14-7-6-11(9-16)8-13(14)17-15(18)12-4-3-5-12/h6-8,10,12H,3-5,9,16H2,1-2H3
InChIKeyGMGBCNFNLFRKPE-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
The IUPAC name of (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine (CID 65037850) is (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine is CC(C)n1c(C2CCC2)nc2cc(CN)ccc21.
What is the InChIKey of (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
The InChIKey is GMGBCNFNLFRKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)18-14-7-6-11(9-16)8-13(14)17-15(18)12-4-3-5-12/h6-8,10,12H,3-5,9,16H2,1-2H3.
What are the key properties of (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 65037850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).