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

C16H15FIN3 — CID 63495268

IUPAC2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline
SMILESCCCn1c(-c2cc(I)ccc2N)nc2ccc(F)cc21
InChIInChI=1S/C16H15FIN3/c1-2-7-21-15-8-10(17)3-6-14(15)20-16(21)12-9-11(18)4-5-13(12)19/h3-6,8-9H,2,7,19H2,1H3
InChIKeyDVNOCPVPJYNJEJ-UHFFFAOYSA-N
MW395.22 g/mol
LogP4.44
Rot. Bonds3

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

2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline (PubChem CID 63495268) has the molecular formula C16H15FIN3 and a molecular weight of 395.22 g/mol. Its IUPAC name is 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline.

Molecular Properties

Compound Name2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline
PubChem CID63495268
Molecular FormulaC16H15FIN3
Molecular Weight395.22 g/mol
Exact Mass395.03
IUPAC Name2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline
SMILESCCCn1c(-c2cc(I)ccc2N)nc2ccc(F)cc21
InChIInChI=1S/C16H15FIN3/c1-2-7-21-15-8-10(17)3-6-14(15)20-16(21)12-9-11(18)4-5-13(12)19/h3-6,8-9H,2,7,19H2,1H3
InChIKeyDVNOCPVPJYNJEJ-UHFFFAOYSA-N
XLogP4.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 54.44
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-methylbenzimidazol-2-yl)-4-iodoaniline
CID 63111015
3-(6-fluoro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928272
2-(5-bromo-1-ethylbenzimidazol-2-yl)-4-iodoaniline
CID 63494366
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline
CID 115411295
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450574

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline?
The IUPAC name of 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline (CID 63495268) is 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline.
What is the SMILES notation for 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline?
The canonical SMILES for 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline is CCCn1c(-c2cc(I)ccc2N)nc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline?
The InChIKey is DVNOCPVPJYNJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FIN3/c1-2-7-21-15-8-10(17)3-6-14(15)20-16(21)12-9-11(18)4-5-13(12)19/h3-6,8-9H,2,7,19H2,1H3.
What are the key properties of 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline?
2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline has a molecular weight of 395.22 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-propylbenzimidazol-2-yl)-4-iodoaniline is sourced from PubChem (CID 63495268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).