2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide

C19H22N4O2 — CID 11580880

IUPAC2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)CCCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C19H22N4O2/c1-23(2)10-3-11-25-15-7-4-13(5-8-15)19-21-16-9-6-14(18(20)24)12-17(16)22-19/h4-9,12H,3,10-11H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyOQFBSGVYYODJLB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.66
Rot. Bonds7

About 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11580880) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11580880
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)CCCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C19H22N4O2/c1-23(2)10-3-11-25-15-7-4-13(5-8-15)19-21-16-9-6-14(18(20)24)12-17(16)22-19/h4-9,12H,3,10-11H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyOQFBSGVYYODJLB-UHFFFAOYSA-N
XLogP2.66
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
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 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11580880) is 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide is CN(C)CCCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OQFBSGVYYODJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23(2)10-3-11-25-15-7-4-13(5-8-15)19-21-16-9-6-14(18(20)24)12-17(16)22-19/h4-9,12H,3,10-11H2,1-2H3,(H2,20,24)(H,21,22).
What are the key properties of 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)propoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11580880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).