2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine

C18H29N3 — CID 143022115

IUPAC2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine
SMILESCCC(C)CCn1c(C(C)(C)C)nc2cc(NC)ccc21
InChIInChI=1S/C18H29N3/c1-7-13(2)10-11-21-16-9-8-14(19-6)12-15(16)20-17(21)18(3,4)5/h8-9,12-13,19H,7,10-11H2,1-6H3
InChIKeyHEJNQLRWCSDQAS-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.81
Rot. Bonds5

About 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine

2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine (PubChem CID 143022115) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine
PubChem CID143022115
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine
SMILESCCC(C)CCn1c(C(C)(C)C)nc2cc(NC)ccc21
InChIInChI=1S/C18H29N3/c1-7-13(2)10-11-21-16-9-8-14(19-6)12-15(16)20-17(21)18(3,4)5/h8-9,12-13,19H,7,10-11H2,1-6H3
InChIKeyHEJNQLRWCSDQAS-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022253
N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 143204096
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
CID 82142178
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]-N-methylacetamide;2-tert-butyl-1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
CID 159730971
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319
2-tert-butyl-3-(3-methylbutyl)benzimidazole-5-carboxylic acid
CID 82768908
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine (CID 143022115) is 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine is CCC(C)CCn1c(C(C)(C)C)nc2cc(NC)ccc21.
What is the InChIKey of 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine?
The InChIKey is HEJNQLRWCSDQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-7-13(2)10-11-21-16-9-8-14(19-6)12-15(16)20-17(21)18(3,4)5/h8-9,12-13,19H,7,10-11H2,1-6H3.
What are the key properties of 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine?
2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine has a molecular weight of 287.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine is sourced from PubChem (CID 143022115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).