1-(4-bromophenyl)-5-methylbenzimidazol-2-amine

C14H12BrN3 — CID 43661852

IUPAC1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3/c1-9-2-7-13-12(8-9)17-14(16)18(13)11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,17)
InChIKeyOTMAUTAHCQDKIZ-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.68
Rot. Bonds1

About 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine

1-(4-bromophenyl)-5-methylbenzimidazol-2-amine (PubChem CID 43661852) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
PubChem CID43661852
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3/c1-9-2-7-13-12(8-9)17-14(16)18(13)11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,17)
InChIKeyOTMAUTAHCQDKIZ-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
5-bromo-1-[4-(dimethylamino)phenyl]benzimidazol-2-amine
CID 43662186
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
1-(4-butylphenyl)-5-methylbenzimidazol-2-amine
CID 43662088
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine (CID 43661852) is 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine?
The InChIKey is OTMAUTAHCQDKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-2-7-13-12(8-9)17-14(16)18(13)11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,17).
What are the key properties of 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine?
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine has a molecular weight of 302.18 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 43661852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).