1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine

C16H25N3O2 — CID 82024996

IUPAC1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine
SMILESCCCCn1c(C(N)CC)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H25N3O2/c1-5-7-8-19-13-10-15(21-4)14(20-3)9-12(13)18-16(19)11(17)6-2/h9-11H,5-8,17H2,1-4H3
InChIKeyLTJSJSZPZHAUSA-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.26
Rot. Bonds7

About 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine

1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine (PubChem CID 82024996) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine
PubChem CID82024996
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine
SMILESCCCCn1c(C(N)CC)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C16H25N3O2/c1-5-7-8-19-13-10-15(21-4)14(20-3)9-12(13)18-16(19)11(17)6-2/h9-11H,5-8,17H2,1-4H3
InChIKeyLTJSJSZPZHAUSA-UHFFFAOYSA-N
XLogP3.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine (CID 82024996) is 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine is CCCCn1c(C(N)CC)nc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine?
The InChIKey is LTJSJSZPZHAUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-7-8-19-13-10-15(21-4)14(20-3)9-12(13)18-16(19)11(17)6-2/h9-11H,5-8,17H2,1-4H3.
What are the key properties of 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine?
1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82024996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).