2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine

C12H14F3N3 — CID 115257973

IUPAC2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
SMILESCN(Cc1ccc2c(c1)ncn2C)CC(F)(F)F
InChIInChI=1S/C12H14F3N3/c1-17(7-12(13,14)15)6-9-3-4-11-10(5-9)16-8-18(11)2/h3-5,8H,6-7H2,1-2H3
InChIKeyKMULTOXFHZJFRU-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.57
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine (PubChem CID 115257973) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
PubChem CID115257973
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
SMILESCN(Cc1ccc2c(c1)ncn2C)CC(F)(F)F
InChIInChI=1S/C12H14F3N3/c1-17(7-12(13,14)15)6-9-3-4-11-10(5-9)16-8-18(11)2/h3-5,8H,6-7H2,1-2H3
InChIKeyKMULTOXFHZJFRU-UHFFFAOYSA-N
XLogP2.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
CID 115218062
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441
3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819
2,2-difluoro-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116838287
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]propanoic acid
CID 117041964
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine (CID 115257973) is 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine is CN(Cc1ccc2c(c1)ncn2C)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The InChIKey is KMULTOXFHZJFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-17(7-12(13,14)15)6-9-3-4-11-10(5-9)16-8-18(11)2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine has a molecular weight of 257.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 115257973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).