N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine

C10H11BrFN3 — CID 103295608

IUPACN-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
SMILESCN(CCBr)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H11BrFN3/c1-15(5-4-11)10-13-8-3-2-7(12)6-9(8)14-10/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNGQIREIWEIMROC-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.53
Rot. Bonds3

About N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine

N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine (PubChem CID 103295608) has the molecular formula C10H11BrFN3 and a molecular weight of 272.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
PubChem CID103295608
Molecular FormulaC10H11BrFN3
Molecular Weight272.12 g/mol
Exact Mass271.01
IUPAC NameN-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
SMILESCN(CCBr)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H11BrFN3/c1-15(5-4-11)10-13-8-3-2-7(12)6-9(8)14-10/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyNGQIREIWEIMROC-UHFFFAOYSA-N
XLogP2.53
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine
CID 103295352
N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295600
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N'-cyclopentyl-N'-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295528
2-N-(2-ethoxyethyl)-2-N-methyl-3H-benzimidazole-2,5-diamine
CID 81059763
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine (CID 103295608) is N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine is CN(CCBr)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is NGQIREIWEIMROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3/c1-15(5-4-11)10-13-8-3-2-7(12)6-9(8)14-10/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine?
N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 272.12 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).