N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine

C15H15BrN4 — CID 115148660

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15BrN4/c1-10-6-12(16)8-18-15(10)17-5-4-11-2-3-13-14(7-11)20-9-19-13/h2-3,6-9H,4-5H2,1H3,(H,17,18)(H,19,20)
InChIKeySWQDQOQCJUJTMI-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine

N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine (PubChem CID 115148660) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
PubChem CID115148660
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15BrN4/c1-10-6-12(16)8-18-15(10)17-5-4-11-2-3-13-14(7-11)20-9-19-13/h2-3,6-9H,4-5H2,1H3,(H,17,18)(H,19,20)
InChIKeySWQDQOQCJUJTMI-UHFFFAOYSA-N
XLogP3.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 115148658
2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine
CID 115147966
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
CID 115205454
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine (CID 115148660) is N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine?
The InChIKey is SWQDQOQCJUJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-10-6-12(16)8-18-15(10)17-5-4-11-2-3-13-14(7-11)20-9-19-13/h2-3,6-9H,4-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine?
N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine has a molecular weight of 331.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine is sourced from PubChem (CID 115148660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).