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

C14H12BrN3 — CID 141059444

IUPAC4-(4-bromophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2c(-c3ccc(Br)cc3)cccc21
InChIInChI=1S/C14H12BrN3/c1-18-12-4-2-3-11(13(12)17-14(18)16)9-5-7-10(15)8-6-9/h2-8H,1H3,(H2,16,17)
InChIKeyVOFLWYKSBNAHSP-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.59
Rot. Bonds1

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

4-(4-bromophenyl)-1-methylbenzimidazol-2-amine (PubChem CID 141059444) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-methylbenzimidazol-2-amine
PubChem CID141059444
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name4-(4-bromophenyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2c(-c3ccc(Br)cc3)cccc21
InChIInChI=1S/C14H12BrN3/c1-18-12-4-2-3-11(13(12)17-14(18)16)9-5-7-10(15)8-6-9/h2-8H,1H3,(H2,16,17)
InChIKeyVOFLWYKSBNAHSP-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine
CID 152511992
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
4,5-bis(4-bromophenyl)acridine
CID 619239
1-(4-bromophenyl)-4-chlorobenzimidazol-2-amine
CID 113459008
4-(4-bromophenyl)acridine
CID 23088551
1-methyl-4-phenylmethoxybenzimidazol-2-amine
CID 144791590
4-[4-(chloromethyl)phenyl]-2-cyclopropyl-1-methylbenzimidazole
CID 170985390
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
2-[3-(4-bromophenyl)-2-methylphenyl]phenol
CID 145025049

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine (CID 141059444) is 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine is Cn1c(N)nc2c(-c3ccc(Br)cc3)cccc21.
What is the InChIKey of 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine?
The InChIKey is VOFLWYKSBNAHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-18-12-4-2-3-11(13(12)17-14(18)16)9-5-7-10(15)8-6-9/h2-8H,1H3,(H2,16,17).
What are the key properties of 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine?
4-(4-bromophenyl)-1-methylbenzimidazol-2-amine has a molecular weight of 302.18 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 141059444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).