N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide

C25H25N5O2S — CID 17235984

IUPACN-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C25H25N5O2S/c1-28-21-10-9-19(26-24(31)22-8-5-15-33-22)16-20(21)27-23(28)17-29-11-13-30(14-12-29)25(32)18-6-3-2-4-7-18/h2-10,15-16H,11-14,17H2,1H3,(H,26,31)
InChIKeyAKBOPSYQODBHQK-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.85
Rot. Bonds5

About N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide

N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 17235984) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID17235984
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC NameN-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
SMILESCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C25H25N5O2S/c1-28-21-10-9-19(26-24(31)22-8-5-15-33-22)16-20(21)27-23(28)17-29-11-13-30(14-12-29)25(32)18-6-3-2-4-7-18/h2-10,15-16H,11-14,17H2,1H3,(H,26,31)
InChIKeyAKBOPSYQODBHQK-UHFFFAOYSA-N
XLogP3.85
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
N-[3-[(4-benzoylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44529879
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-nitrobenzamide
CID 4888580
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 4888420
N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 78801385
N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17236050
N-(2,3-dihydro-1H-inden-5-yl)-4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide
CID 50794345

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide (CID 17235984) is N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide is Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is AKBOPSYQODBHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-28-21-10-9-19(26-24(31)22-8-5-15-33-22)16-20(21)27-23(28)17-29-11-13-30(14-12-29)25(32)18-6-3-2-4-7-18/h2-10,15-16H,11-14,17H2,1H3,(H,26,31).
What are the key properties of N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 17235984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).