N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide

C22H22N4OS — CID 50980427

IUPACN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)c3cccc(NCc4cccs4)c3)nc12
InChIInChI=1S/C22H22N4OS/c1-15-6-3-10-19-21(15)25-20(24-19)14-26(2)22(27)16-7-4-8-17(12-16)23-13-18-9-5-11-28-18/h3-12,23H,13-14H2,1-2H3,(H,24,25)
InChIKeyDDJSMYLFZSLAMW-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.82
Rot. Bonds6

About N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide (PubChem CID 50980427) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
PubChem CID50980427
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)c3cccc(NCc4cccs4)c3)nc12
InChIInChI=1S/C22H22N4OS/c1-15-6-3-10-19-21(15)25-20(24-19)14-26(2)22(27)16-7-4-8-17(12-16)23-13-18-9-5-11-28-18/h3-12,23H,13-14H2,1-2H3,(H,24,25)
InChIKeyDDJSMYLFZSLAMW-UHFFFAOYSA-N
XLogP4.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978360
3-(thiophen-2-ylmethylamino)benzoate
CID 6954625
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50982275
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42951709
3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 17429130
5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
CID 28711815
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773707

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
The IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide (CID 50980427) is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide is Cc1cccc2[nH]c(CN(C)C(=O)c3cccc(NCc4cccs4)c3)nc12.
What is the InChIKey of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
The InChIKey is DDJSMYLFZSLAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-15-6-3-10-19-21(15)25-20(24-19)14-26(2)22(27)16-7-4-8-17(12-16)23-13-18-9-5-11-28-18/h3-12,23H,13-14H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide has a molecular weight of 390.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide is sourced from PubChem (CID 50980427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).