3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline

C14H11ClFN3 — CID 63723607

IUPAC3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2c(N)cccc2Cl)nc2ccc(F)cc21
InChIInChI=1S/C14H11ClFN3/c1-19-12-7-8(16)5-6-11(12)18-14(19)13-9(15)3-2-4-10(13)17/h2-7H,17H2,1H3
InChIKeySWYQUYGOWKRFAW-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.62
Rot. Bonds1

About 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline

3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline (PubChem CID 63723607) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline
PubChem CID63723607
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2c(N)cccc2Cl)nc2ccc(F)cc21
InChIInChI=1S/C14H11ClFN3/c1-19-12-7-8(16)5-6-11(12)18-14(19)13-9(15)3-2-4-10(13)17/h2-7H,17H2,1H3
InChIKeySWYQUYGOWKRFAW-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.62
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-chloro-6-(6-chloro-1-methylbenzimidazol-2-yl)aniline
CID 107050019
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline
CID 63111015
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
2-(1-tert-butylbenzimidazol-2-yl)-3-chloroaniline
CID 63723778
3-chloro-2-(4,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 63723452
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915475
[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040058
3-chloro-2-(5-chloro-1-propylbenzimidazol-2-yl)aniline
CID 63724804
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
3-chloro-2-(4-fluorophenyl)aniline
CID 158778671
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 107637274

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline (CID 63723607) is 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline is Cn1c(-c2c(N)cccc2Cl)nc2ccc(F)cc21.
What is the InChIKey of 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline?
The InChIKey is SWYQUYGOWKRFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-19-12-7-8(16)5-6-11(12)18-14(19)13-9(15)3-2-4-10(13)17/h2-7H,17H2,1H3.
What are the key properties of 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline?
3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline has a molecular weight of 275.71 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 63723607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).