[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine

C15H23N3 — CID 114212936

IUPAC[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(CCC(C)(C)C)nc2ccc(CN)cc21
InChIInChI=1S/C15H23N3/c1-15(2,3)8-7-14-17-12-6-5-11(10-16)9-13(12)18(14)4/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeyBAUSNZMPSLLDAA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.01
Rot. Bonds3

About [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine

[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 114212936) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
PubChem CID114212936
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(CCC(C)(C)C)nc2ccc(CN)cc21
InChIInChI=1S/C15H23N3/c1-15(2,3)8-7-14-17-12-6-5-11(10-16)9-13(12)18(14)4/h5-6,9H,7-8,10,16H2,1-4H3
InChIKeyBAUSNZMPSLLDAA-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
CID 104712932
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
CID 112605673
[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713039
[1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]methanamine
CID 103213105
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 103167107
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713201

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine (CID 114212936) is [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine is Cn1c(CCC(C)(C)C)nc2ccc(CN)cc21.
What is the InChIKey of [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is BAUSNZMPSLLDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)8-7-14-17-12-6-5-11(10-16)9-13(12)18(14)4/h5-6,9H,7-8,10,16H2,1-4H3.
What are the key properties of [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine?
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 114212936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).