N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline

C15H14FN3 — CID 54924340

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
SMILESFc1ccc2nc(CCNc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14FN3/c16-11-6-7-13-14(10-11)19-15(18-13)8-9-17-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyDZDQGWXVILIENU-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline (PubChem CID 54924340) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
PubChem CID54924340
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
SMILESFc1ccc2nc(CCNc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14FN3/c16-11-6-7-13-14(10-11)19-15(18-13)8-9-17-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyDZDQGWXVILIENU-UHFFFAOYSA-N
XLogP3.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[3-(5,6-difluoro-1H-benzimidazol-2-yl)propyl]aniline
CID 60835364
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133378652
1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 91659482
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile
CID 133378485
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline (CID 54924340) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline is Fc1ccc2nc(CCNc3ccccc3)[nH]c2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline?
The InChIKey is DZDQGWXVILIENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-11-6-7-13-14(10-11)19-15(18-13)8-9-17-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline has a molecular weight of 255.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 54924340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).