[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine

C14H21N3 — CID 104721357

IUPAC[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
SMILESCC(C)C(C)c1nc2c(CN)cccc2n1C
InChIInChI=1S/C14H21N3/c1-9(2)10(3)14-16-13-11(8-15)6-5-7-12(13)17(14)4/h5-7,9-10H,8,15H2,1-4H3
InChIKeyVFGFVHORRUPPDA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.79
Rot. Bonds3

About [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine

[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine (PubChem CID 104721357) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
PubChem CID104721357
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
SMILESCC(C)C(C)c1nc2c(CN)cccc2n1C
InChIInChI=1S/C14H21N3/c1-9(2)10(3)14-16-13-11(8-15)6-5-7-12(13)17(14)4/h5-7,9-10H,8,15H2,1-4H3
InChIKeyVFGFVHORRUPPDA-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
CID 104721406
[2-(2-methoxy-2-methylpropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 103022652
[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721393
[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
CID 104721457
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
CID 104721374
[1-methyl-2-(2-methylsulfonylpropan-2-yl)benzimidazol-4-yl]methanamine
CID 104721492
[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
CID 104721477
[2-(5-bromo-2-chlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721545
[2-(4-bromo-2,6-difluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721371

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine (CID 104721357) is [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine is CC(C)C(C)c1nc2c(CN)cccc2n1C.
What is the InChIKey of [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine?
The InChIKey is VFGFVHORRUPPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9(2)10(3)14-16-13-11(8-15)6-5-7-12(13)17(14)4/h5-7,9-10H,8,15H2,1-4H3.
What are the key properties of [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine?
[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).