[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

C16H25N3 — CID 65037701

IUPAC[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCCC(C)(C)c1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C16H25N3/c1-6-16(4,5)15-18-13-9-12(10-17)7-8-14(13)19(15)11(2)3/h7-9,11H,6,10,17H2,1-5H3
InChIKeyGHRXHLNLOTYFFQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.76
Rot. Bonds4

About [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (PubChem CID 65037701) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
PubChem CID65037701
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCCC(C)(C)c1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C16H25N3/c1-6-16(4,5)15-18-13-9-12(10-17)7-8-14(13)19(15)11(2)3/h7-9,11H,6,10,17H2,1-5H3
InChIKeyGHRXHLNLOTYFFQ-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (CID 65037701) is [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is CCC(C)(C)c1nc2cc(CN)ccc2n1C(C)C.
What is the InChIKey of [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The InChIKey is GHRXHLNLOTYFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-16(4,5)15-18-13-9-12(10-17)7-8-14(13)19(15)11(2)3/h7-9,11H,6,10,17H2,1-5H3.
What are the key properties of [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine has a molecular weight of 259.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).