6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine

C14H13BrN4 — CID 65344818

IUPAC6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3ccc(Br)cc32)cn1
InChIInChI=1S/C14H13BrN4/c1-9-2-3-10(7-17-9)8-19-13-6-11(15)4-5-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyCFIFUMKNESRYAS-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.13
Rot. Bonds2

About 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine

6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine (PubChem CID 65344818) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
PubChem CID65344818
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
SMILESCc1ccc(Cn2c(N)nc3ccc(Br)cc32)cn1
InChIInChI=1S/C14H13BrN4/c1-9-2-3-10(7-17-9)8-19-13-6-11(15)4-5-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyCFIFUMKNESRYAS-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 65347065
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 58564987
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80689130
1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine
CID 21484267
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
CID 65344571
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169
3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138544

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine (CID 65344818) is 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine is Cc1ccc(Cn2c(N)nc3ccc(Br)cc32)cn1.
What is the InChIKey of 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
The InChIKey is CFIFUMKNESRYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-9-2-3-10(7-17-9)8-19-13-6-11(15)4-5-12(13)18-14(19)16/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine?
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine has a molecular weight of 317.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 65344818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).