2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline

C16H14ClN3 — CID 60785913

IUPAC2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C16H14ClN3/c17-12-5-3-7-14-15(12)20(10-8-9-10)16(19-14)11-4-1-2-6-13(11)18/h1-7,10H,8-9,18H2
InChIKeyPSHIUQNQXGQROX-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.27
Rot. Bonds2

About 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline

2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline (PubChem CID 60785913) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
PubChem CID60785913
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C16H14ClN3/c17-12-5-3-7-14-15(12)20(10-8-9-10)16(19-14)11-4-1-2-6-13(11)18/h1-7,10H,8-9,18H2
InChIKeyPSHIUQNQXGQROX-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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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline (CID 60785913) is 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline is Nc1ccccc1-c1nc2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The InChIKey is PSHIUQNQXGQROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-12-5-3-7-14-15(12)20(10-8-9-10)16(19-14)11-4-1-2-6-13(11)18/h1-7,10H,8-9,18H2.
What are the key properties of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
2-(7-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 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60785913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).