[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine

C15H23N3 — CID 65038202

IUPAC[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
SMILESCCn1c(C(C)C(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C15H23N3/c1-5-18-14-7-6-12(9-16)8-13(14)17-15(18)11(4)10(2)3/h6-8,10-11H,5,9,16H2,1-4H3
InChIKeyXGDCCKHPDPRVNT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds4

About [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine

[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine (PubChem CID 65038202) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
PubChem CID65038202
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
SMILESCCn1c(C(C)C(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C15H23N3/c1-5-18-14-7-6-12(9-16)8-13(14)17-15(18)11(4)10(2)3/h6-8,10-11H,5,9,16H2,1-4H3
InChIKeyXGDCCKHPDPRVNT-UHFFFAOYSA-N
XLogP3.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine (CID 65038202) is [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine is CCn1c(C(C)C(C)C)nc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine?
The InChIKey is XGDCCKHPDPRVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-18-14-7-6-12(9-16)8-13(14)17-15(18)11(4)10(2)3/h6-8,10-11H,5,9,16H2,1-4H3.
What are the key properties of [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine?
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65038202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).