2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine

C14H19ClFN3 — CID 82950751

IUPAC2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)n1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C14H19ClFN3/c1-10(9-18(2)3)19-13-8-11(16)4-5-12(13)17-14(19)6-7-15/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyWMJJHQKBFKCKLG-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.08
Rot. Bonds5

About 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine

2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82950751) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID82950751
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC(CN(C)C)n1c(CCCl)nc2ccc(F)cc21
InChIInChI=1S/C14H19ClFN3/c1-10(9-18(2)3)19-13-8-11(16)4-5-12(13)17-14(19)6-7-15/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyWMJJHQKBFKCKLG-UHFFFAOYSA-N
XLogP3.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.08
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

2-(2-chloroethyl)-6-fluoro-1-(6-methylheptan-2-yl)benzimidazole
CID 63547183
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazole
CID 113457934
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
CID 62376179
2-(2-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 63292395
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950661
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346460
2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 65346330
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
2-[1-[1-(dimethylamino)propan-2-yl]-6-fluorobenzimidazol-2-yl]sulfanylacetic acid
CID 82940270
2-(2-chloroethyl)-5-fluoro-1-octan-2-ylbenzimidazole
CID 63546138

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine (CID 82950751) is 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine is CC(CN(C)C)n1c(CCCl)nc2ccc(F)cc21.
What is the InChIKey of 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is WMJJHQKBFKCKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c1-10(9-18(2)3)19-13-8-11(16)4-5-12(13)17-14(19)6-7-15/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 283.78 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82950751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).