N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine

C14H10BrF2N3 — CID 103294770

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc(Br)c(CNc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C14H10BrF2N3/c15-11-3-1-9(16)5-8(11)7-18-14-19-12-4-2-10(17)6-13(12)20-14/h1-6H,7H2,(H2,18,19,20)
InChIKeyNPDRCVNKBKXXCL-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.22
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine

N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 103294770) has the molecular formula C14H10BrF2N3 and a molecular weight of 338.16 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
PubChem CID103294770
Molecular FormulaC14H10BrF2N3
Molecular Weight338.16 g/mol
Exact Mass337.00
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc(Br)c(CNc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C14H10BrF2N3/c15-11-3-1-9(16)5-8(11)7-18-14-19-12-4-2-10(17)6-13(12)20-14/h1-6H,7H2,(H2,18,19,20)
InChIKeyNPDRCVNKBKXXCL-UHFFFAOYSA-N
XLogP4.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 103294733
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103294777
6-fluoro-N-[(3-methylthiophen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103295035
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine (CID 103294770) is N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine is Fc1ccc(Br)c(CNc2nc3ccc(F)cc3[nH]2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is NPDRCVNKBKXXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3/c15-11-3-1-9(16)5-8(11)7-18-14-19-12-4-2-10(17)6-13(12)20-14/h1-6H,7H2,(H2,18,19,20).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 338.16 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 103294770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).