N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide

C20H25N5OS — CID 17236134

IUPACN-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C20H25N5OS/c1-3-25-17-7-6-15(21-20(26)18-5-4-12-27-18)13-16(17)22-19(25)14-24-10-8-23(2)9-11-24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,26)
InChIKeyWEKHSEIXQSHVHV-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.12
Rot. Bonds5

About N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide

N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 17236134) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID17236134
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC NameN-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C20H25N5OS/c1-3-25-17-7-6-15(21-20(26)18-5-4-12-27-18)13-16(17)22-19(25)14-24-10-8-23(2)9-11-24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,26)
InChIKeyWEKHSEIXQSHVHV-UHFFFAOYSA-N
XLogP3.12
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 46263459
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 17236129
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole-5-carboxylic acid
CID 138003594
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 29079928
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide (CID 17236134) is N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide is CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is WEKHSEIXQSHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-3-25-17-7-6-15(21-20(26)18-5-4-12-27-18)13-16(17)22-19(25)14-24-10-8-23(2)9-11-24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,26).
What are the key properties of N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide?
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 17236134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).