4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline

C16H14ClN3 — CID 60785041

IUPAC4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(Cl)ccc3n2C2CC2)cc1
InChIInChI=1S/C16H14ClN3/c17-11-3-8-15-14(9-11)19-16(20(15)13-6-7-13)10-1-4-12(18)5-2-10/h1-5,8-9,13H,6-7,18H2
InChIKeyHWVBXYNTVMCYGW-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.27
Rot. Bonds2

About 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline

4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline (PubChem CID 60785041) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
PubChem CID60785041
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
SMILESNc1ccc(-c2nc3cc(Cl)ccc3n2C2CC2)cc1
InChIInChI=1S/C16H14ClN3/c17-11-3-8-15-14(9-11)19-16(20(15)13-6-7-13)10-1-4-12(18)5-2-10/h1-5,8-9,13H,6-7,18H2
InChIKeyHWVBXYNTVMCYGW-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

3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
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-(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
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66379416
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
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516040

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The IUPAC name of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline (CID 60785041) is 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The canonical SMILES for 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline is Nc1ccc(-c2nc3cc(Cl)ccc3n2C2CC2)cc1.
What is the InChIKey of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
The InChIKey is HWVBXYNTVMCYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-11-3-8-15-14(9-11)19-16(20(15)13-6-7-13)10-1-4-12(18)5-2-10/h1-5,8-9,13H,6-7,18H2.
What are the key properties of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline?
4-(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 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60785041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).