1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine

C13H20N4O — CID 15955948

IUPAC1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2CCCN(C)C
InChIInChI=1S/C13H20N4O/c1-16(2)7-4-8-17-12-6-5-10(18-3)9-11(12)15-13(17)14/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)
InChIKeyZFZMQWBKDVLKBB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine

1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine (PubChem CID 15955948) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
PubChem CID15955948
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2CCCN(C)C
InChIInChI=1S/C13H20N4O/c1-16(2)7-4-8-17-12-6-5-10(18-3)9-11(12)15-13(17)14/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15)
InChIKeyZFZMQWBKDVLKBB-UHFFFAOYSA-N
XLogP1.58
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine (CID 15955948) is 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine is COc1ccc2c(c1)nc(N)n2CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine?
The InChIKey is ZFZMQWBKDVLKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)7-4-8-17-12-6-5-10(18-3)9-11(12)15-13(17)14/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15).
What are the key properties of 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine?
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine is sourced from PubChem (CID 15955948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).