N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine

C13H19N3 — CID 84683142

IUPACN-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine
SMILESCNCc1ccc2nc(CC(C)C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-9(2)6-13-15-11-5-4-10(8-14-3)7-12(11)16-13/h4-5,7,9,14H,6,8H2,1-3H3,(H,15,16)
InChIKeySOJAGAQJOJKDIY-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine

N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 84683142) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID84683142
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine
SMILESCNCc1ccc2nc(CC(C)C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-9(2)6-13-15-11-5-4-10(8-14-3)7-12(11)16-13/h4-5,7,9,14H,6,8H2,1-3H3,(H,15,16)
InChIKeySOJAGAQJOJKDIY-UHFFFAOYSA-N
XLogP2.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
[2-(methylaminomethyl)-3H-benzimidazol-5-yl]methanamine
CID 83949221
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
6-isocyanato-2-(2-methylpropyl)-1H-benzimidazole
CID 169354820
2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole
CID 91291350
1-chloro-3-[[2-(2-methylpropyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
CID 168639641
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole
CID 165144427
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine (CID 84683142) is N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine is CNCc1ccc2nc(CC(C)C)[nH]c2c1.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is SOJAGAQJOJKDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)6-13-15-11-5-4-10(8-14-3)7-12(11)16-13/h4-5,7,9,14H,6,8H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine?
N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 84683142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).