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

C17H27N3 — CID 65037716

IUPAC[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine
SMILESCC(C)Cn1c(C(C)C(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C17H27N3/c1-11(2)10-20-16-7-6-14(9-18)8-15(16)19-17(20)13(5)12(3)4/h6-8,11-13H,9-10,18H2,1-5H3
InChIKeyIPPMJSRFGRMFFI-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.91
Rot. Bonds5

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

[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine (PubChem CID 65037716) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine
PubChem CID65037716
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine
SMILESCC(C)Cn1c(C(C)C(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C17H27N3/c1-11(2)10-20-16-7-6-14(9-18)8-15(16)19-17(20)13(5)12(3)4/h6-8,11-13H,9-10,18H2,1-5H3
InChIKeyIPPMJSRFGRMFFI-UHFFFAOYSA-N
XLogP3.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]methanethiol
CID 82333880
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
[4-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756838
(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
CID 65037779
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
CID 82987206
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine (CID 65037716) is [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine is CC(C)Cn1c(C(C)C(C)C)nc2cc(CN)ccc21.
What is the InChIKey of [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine?
The InChIKey is IPPMJSRFGRMFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-11(2)10-20-16-7-6-14(9-18)8-15(16)19-17(20)13(5)12(3)4/h6-8,11-13H,9-10,18H2,1-5H3.
What are the key properties of [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine?
[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).