2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline

C15H14FN3 — CID 107602854

IUPAC2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(Cc2cccc(F)c2N)nc2ccccc21
InChIInChI=1S/C15H14FN3/c1-19-13-8-3-2-7-12(13)18-14(19)9-10-5-4-6-11(16)15(10)17/h2-8H,9,17H2,1H3
InChIKeyXNAQCETXBSGUHI-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.89
Rot. Bonds2

About 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline

2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 107602854) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID107602854
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(Cc2cccc(F)c2N)nc2ccccc21
InChIInChI=1S/C15H14FN3/c1-19-13-8-3-2-7-12(13)18-14(19)9-10-5-4-6-11(16)15(10)17/h2-8H,9,17H2,1H3
InChIKeyXNAQCETXBSGUHI-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]benzoic acid
CID 114560340
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65038217
4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949
5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 79754305
2-fluoro-4-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130260
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 107602854) is 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cn1c(Cc2cccc(F)c2N)nc2ccccc21.
What is the InChIKey of 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is XNAQCETXBSGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-19-13-8-3-2-7-12(13)18-14(19)9-10-5-4-6-11(16)15(10)17/h2-8H,9,17H2,1H3.
What are the key properties of 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline?
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 255.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 107602854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).