N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine

C12H16BrN3 — CID 115262441

IUPACN-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCN(CBr)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H16BrN3/c1-15(8-13)6-5-10-3-4-12-11(7-10)14-9-16(12)2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQPPNREGYIVBXCQ-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.40
Rot. Bonds4

About N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine

N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine (PubChem CID 115262441) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
PubChem CID115262441
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC NameN-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCN(CBr)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H16BrN3/c1-15(8-13)6-5-10-3-4-12-11(7-10)14-9-16(12)2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQPPNREGYIVBXCQ-UHFFFAOYSA-N
XLogP2.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242609
N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115139454
3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115153099
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
The IUPAC name of N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine (CID 115262441) is N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine.
What is the SMILES notation for N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
The canonical SMILES for N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine is CN(CBr)CCc1ccc2c(c1)ncn2C.
What is the InChIKey of N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
The InChIKey is QPPNREGYIVBXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-15(8-13)6-5-10-3-4-12-11(7-10)14-9-16(12)2/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine has a molecular weight of 282.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 115262441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).