1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C27H30N6OS — CID 3554945

IUPAC1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)nc2ccccc21
InChIInChI=1S/C27H30N6OS/c1-4-31(5-2)15-16-32-23-14-10-9-13-22(23)28-27(32)29-25(34)24-17-21-19(3)30-33(26(21)35-24)18-20-11-7-6-8-12-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,28,29,34)
InChIKeyWMEFTVSXCICPGC-UHFFFAOYSA-N
MW486.65 g/mol
LogP5.40
Rot. Bonds9

About 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3554945) has the molecular formula C27H30N6OS and a molecular weight of 486.65 g/mol. Its IUPAC name is 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3554945
Molecular FormulaC27H30N6OS
Molecular Weight486.65 g/mol
Exact Mass486.22
IUPAC Name1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)nc2ccccc21
InChIInChI=1S/C27H30N6OS/c1-4-31(5-2)15-16-32-23-14-10-9-13-22(23)28-27(32)29-25(34)24-17-21-19(3)30-33(26(21)35-24)18-20-11-7-6-8-12-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,28,29,34)
InChIKeyWMEFTVSXCICPGC-UHFFFAOYSA-N
XLogP5.40
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-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 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 3554945) is 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CC)CCn1c(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)nc2ccccc21.
What is the InChIKey of 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WMEFTVSXCICPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6OS/c1-4-31(5-2)15-16-32-23-14-10-9-13-22(23)28-27(32)29-25(34)24-17-21-19(3)30-33(26(21)35-24)18-20-11-7-6-8-12-20/h6-14,17H,4-5,15-16,18H2,1-3H3,(H,28,29,34).
What are the key properties of 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 486.65 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3554945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).