6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine

C12H17BrN4 — CID 65344571

IUPAC6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2ccc(Br)cc21)N(C)C
InChIInChI=1S/C12H17BrN4/c1-8(16(2)3)7-17-11-6-9(13)4-5-10(11)15-12(17)14/h4-6,8H,7H2,1-3H3,(H2,14,15)
InChIKeyBSZAPIURCUMGSD-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.33
Rot. Bonds3

About 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine

6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine (PubChem CID 65344571) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
PubChem CID65344571
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2ccc(Br)cc21)N(C)C
InChIInChI=1S/C12H17BrN4/c1-8(16(2)3)7-17-11-6-9(13)4-5-10(11)15-12(17)14/h4-6,8H,7H2,1-3H3,(H2,14,15)
InChIKeyBSZAPIURCUMGSD-UHFFFAOYSA-N
XLogP2.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169
1-[2-(dimethylamino)propyl]imidazo[4,5-c]pyridin-2-amine
CID 79296345
6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
CID 65344674
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine
CID 114108859
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine
CID 65345208
(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
CID 57060481
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 65344818
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80689130

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine (CID 65344571) is 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine is CC(Cn1c(N)nc2ccc(Br)cc21)N(C)C.
What is the InChIKey of 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine?
The InChIKey is BSZAPIURCUMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-8(16(2)3)7-17-11-6-9(13)4-5-10(11)15-12(17)14/h4-6,8H,7H2,1-3H3,(H2,14,15).
What are the key properties of 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine?
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine has a molecular weight of 297.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine is sourced from PubChem (CID 65344571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).