6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine

C15H13BrFN3 — CID 82563510

IUPAC6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(CCNc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C15H13BrFN3/c16-11-3-6-13-14(9-11)20-15(19-13)18-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2,(H2,18,19,20)
InChIKeyYGVRQGLXXNHGAV-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.12
Rot. Bonds4

About 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine

6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 82563510) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID82563510
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(CCNc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C15H13BrFN3/c16-11-3-6-13-14(9-11)20-15(19-13)18-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2,(H2,18,19,20)
InChIKeyYGVRQGLXXNHGAV-UHFFFAOYSA-N
XLogP4.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
CID 82563411
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
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
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 114184467
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine (CID 82563510) is 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine is Fc1ccc(CCNc2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is YGVRQGLXXNHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c16-11-3-6-13-14(9-11)20-15(19-13)18-8-7-10-1-4-12(17)5-2-10/h1-6,9H,7-8H2,(H2,18,19,20).
What are the key properties of 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine?
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 334.19 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).