3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline

C16H14ClN3 — CID 60783299

IUPAC3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1cccc(-c2nc3cc(Cl)ccc3n2C2CC2)c1
InChIInChI=1S/C16H14ClN3/c17-11-4-7-15-14(9-11)19-16(20(15)13-5-6-13)10-2-1-3-12(18)8-10/h1-4,7-9,13H,5-6,18H2
InChIKeyIQPCYWIVGAVMNA-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.27
Rot. Bonds2

About 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline (PubChem CID 60783299) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
PubChem CID60783299
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1cccc(-c2nc3cc(Cl)ccc3n2C2CC2)c1
InChIInChI=1S/C16H14ClN3/c17-11-4-7-15-14(9-11)19-16(20(15)13-5-6-13)10-2-1-3-12(18)8-10/h1-4,7-9,13H,5-6,18H2
InChIKeyIQPCYWIVGAVMNA-UHFFFAOYSA-N
XLogP4.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.27
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

4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
3-chloro-4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 61399162
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine
CID 63261925
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
CID 115473210
2-bromo-5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 107812844
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
4-bromo-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473276

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The IUPAC name of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline (CID 60783299) is 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The canonical SMILES for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline is Nc1cccc(-c2nc3cc(Cl)ccc3n2C2CC2)c1.
What is the InChIKey of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The InChIKey is IQPCYWIVGAVMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-11-4-7-15-14(9-11)19-16(20(15)13-5-6-13)10-2-1-3-12(18)8-10/h1-4,7-9,13H,5-6,18H2.
What are the key properties of 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline has a molecular weight of 283.76 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60783299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).