1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine

C14H18ClF2N3 — CID 62532231

IUPAC1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine
SMILESCC(Cl)c1nc2ccc(F)c(F)c2n1CC(C)N(C)C
InChIInChI=1S/C14H18ClF2N3/c1-8(19(3)4)7-20-13-11(18-14(20)9(2)15)6-5-10(16)12(13)17/h5-6,8-9H,7H2,1-4H3
InChIKeyHKJFRDQTDMBNDM-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine

1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine (PubChem CID 62532231) has the molecular formula C14H18ClF2N3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine
PubChem CID62532231
Molecular FormulaC14H18ClF2N3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine
SMILESCC(Cl)c1nc2ccc(F)c(F)c2n1CC(C)N(C)C
InChIInChI=1S/C14H18ClF2N3/c1-8(19(3)4)7-20-13-11(18-14(20)9(2)15)6-5-10(16)12(13)17/h5-6,8-9H,7H2,1-4H3
InChIKeyHKJFRDQTDMBNDM-UHFFFAOYSA-N
XLogP3.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763347
3-[[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406915
2-[[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-1,3-thiazole
CID 62531884
ethyl 3-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]propanoate
CID 62535237
2-(1-chloroethyl)-6,7-difluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62533887
2-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N-ethylpropanamide
CID 62533908
1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole
CID 63547596
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243
2-(2-chloroethyl)-1-(2,3-dimethylbutyl)-6,7-difluorobenzimidazole
CID 64596576
1-[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-2-amine
CID 104837988
2-(1-chloroethyl)-1-(1,3-dimethylpyrazol-4-yl)-6,7-difluorobenzimidazole
CID 102806405
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine (CID 62532231) is 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine is CC(Cl)c1nc2ccc(F)c(F)c2n1CC(C)N(C)C.
What is the InChIKey of 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine?
The InChIKey is HKJFRDQTDMBNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N3/c1-8(19(3)4)7-20-13-11(18-14(20)9(2)15)6-5-10(16)12(13)17/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine?
1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine has a molecular weight of 301.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 62532231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).