5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide

C23H29N7O2 — CID 118350323

IUPAC5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide
SMILESCCn1cnc2cc(-c3cc(N(C)CCN(C)C)c(C(N)=O)c4[nH]cnc34)cc(OC)c21
InChIInChI=1S/C23H29N7O2/c1-6-30-13-27-16-9-14(10-18(32-5)22(16)30)15-11-17(29(4)8-7-28(2)3)19(23(24)31)21-20(15)25-12-26-21/h9-13H,6-8H2,1-5H3,(H2,24,31)(H,25,26)
InChIKeyXFBLMUMUHZCSQY-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.70
Rot. Bonds8

About 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide

5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide (PubChem CID 118350323) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide
PubChem CID118350323
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide
SMILESCCn1cnc2cc(-c3cc(N(C)CCN(C)C)c(C(N)=O)c4[nH]cnc34)cc(OC)c21
InChIInChI=1S/C23H29N7O2/c1-6-30-13-27-16-9-14(10-18(32-5)22(16)30)15-11-17(29(4)8-7-28(2)3)19(23(24)31)21-20(15)25-12-26-21/h9-13H,6-8H2,1-5H3,(H2,24,31)(H,25,26)
InChIKeyXFBLMUMUHZCSQY-UHFFFAOYSA-N
XLogP2.70
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide (CID 118350323) is 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide is CCn1cnc2cc(-c3cc(N(C)CCN(C)C)c(C(N)=O)c4[nH]cnc34)cc(OC)c21.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
The InChIKey is XFBLMUMUHZCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-6-30-13-27-16-9-14(10-18(32-5)22(16)30)15-11-17(29(4)8-7-28(2)3)19(23(24)31)21-20(15)25-12-26-21/h9-13H,6-8H2,1-5H3,(H2,24,31)(H,25,26).
What are the key properties of 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide?
5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-methylamino]-7-(1-ethyl-7-methoxybenzimidazol-5-yl)-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118350323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).