2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline

C14H11FIN3 — CID 63111015

IUPAC2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline
SMILESCn1c(-c2cc(I)ccc2N)nc2ccc(F)cc21
InChIInChI=1S/C14H11FIN3/c1-19-13-6-8(15)2-5-12(13)18-14(19)10-7-9(16)3-4-11(10)17/h2-7H,17H2,1H3
InChIKeyOOGXFULYUWNYPS-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.57
Rot. Bonds1

About 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline

2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline (PubChem CID 63111015) has the molecular formula C14H11FIN3 and a molecular weight of 367.17 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline.

Molecular Properties

Compound Name2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline
PubChem CID63111015
Molecular FormulaC14H11FIN3
Molecular Weight367.17 g/mol
Exact Mass367.00
IUPAC Name2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline
SMILESCn1c(-c2cc(I)ccc2N)nc2ccc(F)cc21
InChIInChI=1S/C14H11FIN3/c1-19-13-6-8(15)2-5-12(13)18-14(19)10-7-9(16)3-4-11(10)17/h2-7H,17H2,1H3
InChIKeyOOGXFULYUWNYPS-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline
CID 63495268
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63723607
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915475
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
2-(5-bromo-1-ethylbenzimidazol-2-yl)-4-iodoaniline
CID 63494366
4-iodo-2-(3-methylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136885922
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline
CID 107209073
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline?
The IUPAC name of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline (CID 63111015) is 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline.
What is the SMILES notation for 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline?
The canonical SMILES for 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline is Cn1c(-c2cc(I)ccc2N)nc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline?
The InChIKey is OOGXFULYUWNYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FIN3/c1-19-13-6-8(15)2-5-12(13)18-14(19)10-7-9(16)3-4-11(10)17/h2-7H,17H2,1H3.
What are the key properties of 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline?
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline has a molecular weight of 367.17 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline is sourced from PubChem (CID 63111015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).