3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide

C19H21N3O2 — CID 71714082

IUPAC3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide
SMILESCc1nc2ccccc2n1CCCCOc1cccc(C(N)=O)c1
InChIInChI=1S/C19H21N3O2/c1-14-21-17-9-2-3-10-18(17)22(14)11-4-5-12-24-16-8-6-7-15(13-16)19(20)23/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,20,23)
InChIKeyVXBQLZHLQQOYJA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.30
Rot. Bonds7

About 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide

3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide (PubChem CID 71714082) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide.

Molecular Properties

Compound Name3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide
PubChem CID71714082
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide
SMILESCc1nc2ccccc2n1CCCCOc1cccc(C(N)=O)c1
InChIInChI=1S/C19H21N3O2/c1-14-21-17-9-2-3-10-18(17)22(14)11-4-5-12-24-16-8-6-7-15(13-16)19(20)23/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,20,23)
InChIKeyVXBQLZHLQQOYJA-UHFFFAOYSA-N
XLogP3.30
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide?
The IUPAC name of 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide (CID 71714082) is 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide.
What is the SMILES notation for 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide?
The canonical SMILES for 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide is Cc1nc2ccccc2n1CCCCOc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide?
The InChIKey is VXBQLZHLQQOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-21-17-9-2-3-10-18(17)22(14)11-4-5-12-24-16-8-6-7-15(13-16)19(20)23/h2-3,6-10,13H,4-5,11-12H2,1H3,(H2,20,23).
What are the key properties of 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide?
3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbenzimidazol-1-yl)butoxy]benzamide is sourced from PubChem (CID 71714082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).