1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide

C24H28FN5O2 — CID 50822466

IUPAC1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCn1c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)nc2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C24H28FN5O2/c1-4-30-21-10-7-18(23(31)27(2)3)15-20(21)26-22(30)16-28-11-13-29(14-12-28)24(32)17-5-8-19(25)9-6-17/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyIYFKSMKBZNPOAR-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.86
Rot. Bonds5

About 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide

1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide (PubChem CID 50822466) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
PubChem CID50822466
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCn1c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)nc2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C24H28FN5O2/c1-4-30-21-10-7-18(23(31)27(2)3)15-20(21)26-22(30)16-28-11-13-29(14-12-28)24(32)17-5-8-19(25)9-6-17/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyIYFKSMKBZNPOAR-UHFFFAOYSA-N
XLogP2.86
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

1-ethyl-N,N-dimethyl-2-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50823978
[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 52879137
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole-5-carboxylic acid
CID 138003594
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 20955785
1-ethyl-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 138045779
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 75438563
1-ethyl-2-[[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 138045802
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
CID 20955787
N,N,1-trimethyl-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50822579
2-[[butan-2-ylcarbamoyl(methyl)amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 53104224

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide (CID 50822466) is 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide is CCn1c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)nc2cc(C(=O)N(C)C)ccc21.
What is the InChIKey of 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The InChIKey is IYFKSMKBZNPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-4-30-21-10-7-18(23(31)27(2)3)15-20(21)26-22(30)16-28-11-13-29(14-12-28)24(32)17-5-8-19(25)9-6-17/h5-10,15H,4,11-14,16H2,1-3H3.
What are the key properties of 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 50822466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).