1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine

C17H16BrN3 — CID 63497745

IUPAC1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine
SMILESCc1cc(Br)ccc1-n1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C17H16BrN3/c1-10-8-12(18)4-6-15(10)21-16-7-5-13(19)9-14(16)20-17(21)11-2-3-11/h4-9,11H,2-3,19H2,1H3
InChIKeyRRMUUODQXLUIHJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.56
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine

1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine (PubChem CID 63497745) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine
PubChem CID63497745
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine
SMILESCc1cc(Br)ccc1-n1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C17H16BrN3/c1-10-8-12(18)4-6-15(10)21-16-7-5-13(19)9-14(16)20-17(21)11-2-3-11/h4-9,11H,2-3,19H2,1H3
InChIKeyRRMUUODQXLUIHJ-UHFFFAOYSA-N
XLogP4.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.56
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-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine
CID 79786529
2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine
CID 62507018
1-[(3-bromophenyl)methyl]-2-cyclopropylbenzimidazol-5-amine
CID 62494124
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
1-(4-bromo-2,6-dimethylphenyl)-2-methylbenzimidazol-5-amine
CID 65499671
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopropyl-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-5-amine
CID 106376366
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine (CID 63497745) is 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine is Cc1cc(Br)ccc1-n1c(C2CC2)nc2cc(N)ccc21.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine?
The InChIKey is RRMUUODQXLUIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-10-8-12(18)4-6-15(10)21-16-7-5-13(19)9-14(16)20-17(21)11-2-3-11/h4-9,11H,2-3,19H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine?
1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine has a molecular weight of 342.24 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine is sourced from PubChem (CID 63497745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).