2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline

C16H13ClFN3 — CID 115473210

IUPAC2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
SMILESNc1cccc(F)c1-c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C16H13ClFN3/c17-9-4-7-13-14(8-9)21(10-5-6-10)16(20-13)15-11(18)2-1-3-12(15)19/h1-4,7-8,10H,5-6,19H2
InChIKeyYZDNRNMVFAIBSW-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.41
Rot. Bonds2

About 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline

2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline (PubChem CID 115473210) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
PubChem CID115473210
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
SMILESNc1cccc(F)c1-c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C16H13ClFN3/c17-9-4-7-13-14(8-9)21(10-5-6-10)16(20-13)15-11(18)2-1-3-12(15)19/h1-4,7-8,10H,5-6,19H2
InChIKeyYZDNRNMVFAIBSW-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'}

Analyze 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol
CID 136789763
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239
2-bromo-5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 107812844
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
4-bromo-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473276
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915509
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397659

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline?
The IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline (CID 115473210) is 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline.
What is the SMILES notation for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline?
The canonical SMILES for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline is Nc1cccc(F)c1-c1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline?
The InChIKey is YZDNRNMVFAIBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-9-4-7-13-14(8-9)21(10-5-6-10)16(20-13)15-11(18)2-1-3-12(15)19/h1-4,7-8,10H,5-6,19H2.
What are the key properties of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline?
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline 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 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline is sourced from PubChem (CID 115473210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).