N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine

C15H15BrN4 — CID 115147182

IUPACN-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)Cc2ccc3nc[nH]c3c2)ncc1Br
InChIInChI=1S/C15H15BrN4/c1-10-5-15(17-7-12(10)16)20(2)8-11-3-4-13-14(6-11)19-9-18-13/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyZKDIOMXQRQSBIH-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.67
Rot. Bonds3

About N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine

N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine (PubChem CID 115147182) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine
PubChem CID115147182
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)Cc2ccc3nc[nH]c3c2)ncc1Br
InChIInChI=1S/C15H15BrN4/c1-10-5-15(17-7-12(10)16)20(2)8-11-3-4-13-14(6-11)19-9-18-13/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyZKDIOMXQRQSBIH-UHFFFAOYSA-N
XLogP3.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265541
1-N-(3H-benzimidazol-5-ylmethyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125097
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 115147167
2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147437
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147433
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine (CID 115147182) is N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine is Cc1cc(N(C)Cc2ccc3nc[nH]c3c2)ncc1Br.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine?
The InChIKey is ZKDIOMXQRQSBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-10-5-15(17-7-12(10)16)20(2)8-11-3-4-13-14(6-11)19-9-18-13/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine?
N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine has a molecular weight of 331.22 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 115147182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).