2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline

C17H18BrN3 — CID 60783324

IUPAC2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3cc(Br)ccc3n2C(C)C)c1N
InChIInChI=1S/C17H18BrN3/c1-10(2)21-15-8-7-12(18)9-14(15)20-17(21)13-6-4-5-11(3)16(13)19/h4-10H,19H2,1-3H3
InChIKeyRQEAKVYUWAXYRX-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.94
Rot. Bonds2

About 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline

2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline (PubChem CID 60783324) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
PubChem CID60783324
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3cc(Br)ccc3n2C(C)C)c1N
InChIInChI=1S/C17H18BrN3/c1-10(2)21-15-8-7-12(18)9-14(15)20-17(21)13-6-4-5-11(3)16(13)19/h4-10H,19H2,1-3H3
InChIKeyRQEAKVYUWAXYRX-UHFFFAOYSA-N
XLogP4.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.94
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-bromo-6-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63112784
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236
2-amino-4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872096
2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712554
2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
CID 107049833
5-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 63850340
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
2-amino-6-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712542
2-[3-(difluoromethyl)phenyl]-6-methyl-1-propan-2-ylbenzimidazol-5-amine
CID 138710249
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 60783637
5-bromo-2-(chloromethyl)-1-[1-(2-methylphenyl)ethyl]benzimidazole
CID 63546320
3-(5-bromo-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946740

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
The IUPAC name of 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline (CID 60783324) is 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline.
What is the SMILES notation for 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
The canonical SMILES for 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline is Cc1cccc(-c2nc3cc(Br)ccc3n2C(C)C)c1N.
What is the InChIKey of 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
The InChIKey is RQEAKVYUWAXYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-10(2)21-15-8-7-12(18)9-14(15)20-17(21)13-6-4-5-11(3)16(13)19/h4-10H,19H2,1-3H3.
What are the key properties of 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline?
2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline has a molecular weight of 344.26 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline is sourced from PubChem (CID 60783324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).