1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine

C17H18BrN3 — CID 63495966

IUPAC1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1-c1cc(Br)ccc1C
InChIInChI=1S/C17H18BrN3/c1-3-4-17-20-14-10-13(19)7-8-15(14)21(17)16-9-12(18)6-5-11(16)2/h5-10H,3-4,19H2,1-2H3
InChIKeyPWNJGNPPBOUIRB-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.63
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine

1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine (PubChem CID 63495966) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
PubChem CID63495966
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1-c1cc(Br)ccc1C
InChIInChI=1S/C17H18BrN3/c1-3-4-17-20-14-10-13(19)7-8-15(14)21(17)16-9-12(18)6-5-11(16)2/h5-10H,3-4,19H2,1-2H3
InChIKeyPWNJGNPPBOUIRB-UHFFFAOYSA-N
XLogP4.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.63
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

1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
[5-amino-1-(4-bromo-2-ethylphenyl)benzimidazol-2-yl]methanol
CID 81289490
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
CID 62506849
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine (CID 63495966) is 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1-c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine?
The InChIKey is PWNJGNPPBOUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-3-4-17-20-14-10-13(19)7-8-15(14)21(17)16-9-12(18)6-5-11(16)2/h5-10H,3-4,19H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine?
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine has a molecular weight of 344.26 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 63495966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).