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

C12H16ClN3 — CID 115214975

IUPAC2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
SMILESCN(CCCl)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H16ClN3/c1-15(6-5-13)8-10-3-4-12-11(7-10)14-9-16(12)2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVLPRGEFAPFXAMP-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.24
Rot. Bonds4

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

2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine (PubChem CID 115214975) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
PubChem CID115214975
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
SMILESCN(CCCl)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H16ClN3/c1-15(6-5-13)8-10-3-4-12-11(7-10)14-9-16(12)2/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVLPRGEFAPFXAMP-UHFFFAOYSA-N
XLogP2.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
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
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]propanoic acid
CID 117041964
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine (CID 115214975) is 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine is CN(CCCl)Cc1ccc2c(c1)ncn2C.
What is the InChIKey of 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
The InChIKey is VLPRGEFAPFXAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-15(6-5-13)8-10-3-4-12-11(7-10)14-9-16(12)2/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine?
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine has a molecular weight of 237.73 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 115214975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).