1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine

C15H21ClFN3 — CID 103593564

IUPAC1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCc1cc2c(cc1F)nc(CCl)n2CC(C)(C)N(C)C
InChIInChI=1S/C15H21ClFN3/c1-10-6-13-12(7-11(10)17)18-14(8-16)20(13)9-15(2,3)19(4)5/h6-7H,8-9H2,1-5H3
InChIKeyDHHUCMBQPSSVQA-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine

1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine (PubChem CID 103593564) has the molecular formula C15H21ClFN3 and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
PubChem CID103593564
Molecular FormulaC15H21ClFN3
Molecular Weight297.81 g/mol
Exact Mass297.14
IUPAC Name1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCc1cc2c(cc1F)nc(CCl)n2CC(C)(C)N(C)C
InChIInChI=1S/C15H21ClFN3/c1-10-6-13-12(7-11(10)17)18-14(8-16)20(13)9-15(2,3)19(4)5/h6-7H,8-9H2,1-5H3
InChIKeyDHHUCMBQPSSVQA-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 ≤ 500297.81
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-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-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

1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 113316328
2-(chloromethyl)-5-fluoro-6-methyl-1-(4,4,4-trifluorobutyl)benzimidazole
CID 103593897
5-[[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 103593596
2-(chloromethyl)-5-fluoro-6-methyl-1-(2-methylsulfinylethyl)benzimidazole
CID 103593989
2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N-diethylacetamide
CID 103593940
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 81135613
2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole
CID 103593765
2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole
CID 103593623
2-[2-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 103593695
2-(chloromethyl)-5-fluoro-6-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020601
2-(chloromethyl)-5-fluoro-6-methyl-1-(thian-2-ylmethyl)benzimidazole
CID 103593869
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine (CID 103593564) is 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine is Cc1cc2c(cc1F)nc(CCl)n2CC(C)(C)N(C)C.
What is the InChIKey of 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The InChIKey is DHHUCMBQPSSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3/c1-10-6-13-12(7-11(10)17)18-14(8-16)20(13)9-15(2,3)19(4)5/h6-7H,8-9H2,1-5H3.
What are the key properties of 1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine has a molecular weight of 297.81 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-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 103593564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).