N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide

C21H31N5O2 — CID 17235994

IUPACN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
SMILESCCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C21H31N5O2/c1-5-26-19-7-6-17(22-21(28)12-15(2)3)13-18(19)23-20(26)14-24-8-10-25(11-9-24)16(4)27/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,28)
InChIKeyIFSALHIKNNZFSL-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.70
Rot. Bonds6

About N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide

N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide (PubChem CID 17235994) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
PubChem CID17235994
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
SMILESCCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C21H31N5O2/c1-5-26-19-7-6-17(22-21(28)12-15(2)3)13-18(19)23-20(26)14-24-8-10-25(11-9-24)16(4)27/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,28)
InChIKeyIFSALHIKNNZFSL-UHFFFAOYSA-N
XLogP2.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17236012
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide
CID 53207521
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide (CID 17235994) is N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide is CCn1c(CN2CCN(C(C)=O)CC2)nc2cc(NC(=O)CC(C)C)ccc21.
What is the InChIKey of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide?
The InChIKey is IFSALHIKNNZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-5-26-19-7-6-17(22-21(28)12-15(2)3)13-18(19)23-20(26)14-24-8-10-25(11-9-24)16(4)27/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,28).
What are the key properties of N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide?
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide has a molecular weight of 385.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide is sourced from PubChem (CID 17235994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).