4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline

C16H13ClFN3 — CID 60862547

IUPAC4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
SMILESNc1ccc(Cl)c(-c2nc3c(F)cccc3n2C2CC2)c1
InChIInChI=1S/C16H13ClFN3/c17-12-7-4-9(19)8-11(12)16-20-15-13(18)2-1-3-14(15)21(16)10-5-6-10/h1-4,7-8,10H,5-6,19H2
InChIKeyDKLFMUWQCAQKPT-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline

4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline (PubChem CID 60862547) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
PubChem CID60862547
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
SMILESNc1ccc(Cl)c(-c2nc3c(F)cccc3n2C2CC2)c1
InChIInChI=1S/C16H13ClFN3/c17-12-7-4-9(19)8-11(12)16-20-15-13(18)2-1-3-14(15)21(16)10-5-6-10/h1-4,7-8,10H,5-6,19H2
InChIKeyDKLFMUWQCAQKPT-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.41
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-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline
CID 60785396
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
CID 63112874
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pyridin-3-amine
CID 104740713
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
5-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2-methylphenol
CID 60784309
3-chloro-4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 61399162
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
4-bromo-3-(1-cyclopropylbenzimidazol-2-yl)aniline
CID 115296226
4-bromo-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473276
(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methanol
CID 63756402
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
The IUPAC name of 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline (CID 60862547) is 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
The canonical SMILES for 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline is Nc1ccc(Cl)c(-c2nc3c(F)cccc3n2C2CC2)c1.
What is the InChIKey of 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
The InChIKey is DKLFMUWQCAQKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-12-7-4-9(19)8-11(12)16-20-15-13(18)2-1-3-14(15)21(16)10-5-6-10/h1-4,7-8,10H,5-6,19H2.
What are the key properties of 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline?
4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline has a molecular weight of 301.75 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline is sourced from PubChem (CID 60862547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).