1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine

C12H16BrN3O — CID 113428408

IUPAC1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C12H16BrN3O/c1-7-5-8(13)6-10-11(7)16-12(15-10)9(14)3-4-17-2/h5-6,9H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyAWYQCOKOMXKNRJ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.67
Rot. Bonds4

About 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine

1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine (PubChem CID 113428408) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine
PubChem CID113428408
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C12H16BrN3O/c1-7-5-8(13)6-10-11(7)16-12(15-10)9(14)3-4-17-2/h5-6,9H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyAWYQCOKOMXKNRJ-UHFFFAOYSA-N
XLogP2.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 104574043
6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole
CID 112706374
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574111
6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
CID 104574511
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 104574201
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
CID 113428425
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
6-bromo-4-methyl-2-(2-propoxyethyl)-1H-benzimidazole
CID 104574604
4-methoxy-1-(4-methylsulfonyl-1H-benzimidazol-2-yl)butan-1-amine
CID 82008688
3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine
CID 104574108
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
ethyl 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentanoate
CID 82946678

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine (CID 113428408) is 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine is COCCC(N)c1nc2c(C)cc(Br)cc2[nH]1.
What is the InChIKey of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine?
The InChIKey is AWYQCOKOMXKNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-7-5-8(13)6-10-11(7)16-12(15-10)9(14)3-4-17-2/h5-6,9H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine?
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine has a molecular weight of 298.18 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 113428408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).