N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine

C13H19N3 — CID 84622679

IUPACN-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine
SMILESCNCCc1nc2ccc(C)c(C)c2n1C
InChIInChI=1S/C13H19N3/c1-9-5-6-11-13(10(9)2)16(4)12(15-11)7-8-14-3/h5-6,14H,7-8H2,1-4H3
InChIKeyLBTHBKWRUKIOLV-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine

N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine (PubChem CID 84622679) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine
PubChem CID84622679
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine
SMILESCNCCc1nc2ccc(C)c(C)c2n1C
InChIInChI=1S/C13H19N3/c1-9-5-6-11-13(10(9)2)16(4)12(15-11)7-8-14-3/h5-6,14H,7-8H2,1-4H3
InChIKeyLBTHBKWRUKIOLV-UHFFFAOYSA-N
XLogP1.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1,6,7-trimethylindol-2-yl)ethanamine
CID 84622439
1,6,7-trimethyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 84636845
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82334064
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917
2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84605029
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
CID 84626383
N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 112741115
2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84608558
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
2-(chloromethyl)-7-fluoro-1-methylbenzimidazole
CID 83428061
2-[4-(1,3-benzoxazol-6-yl)-5-bromo-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610372
1,6,7-trimethylbenzimidazole
CID 83449271

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine (CID 84622679) is N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine is CNCCc1nc2ccc(C)c(C)c2n1C.
What is the InChIKey of N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine?
The InChIKey is LBTHBKWRUKIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-5-6-11-13(10(9)2)16(4)12(15-11)7-8-14-3/h5-6,14H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine?
N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine has a molecular weight of 217.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 84622679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).