N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide

C22H27N5O3 — CID 53207521

IUPACN-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2CC
InChIInChI=1S/C22H27N5O3/c1-3-21(28)23-16-7-8-18-17(14-16)24-20(27(18)4-2)15-25-9-11-26(12-10-25)22(29)19-6-5-13-30-19/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,28)
InChIKeyNONPWGHSOXEEKL-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.96
Rot. Bonds6

About N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide

N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide (PubChem CID 53207521) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide
PubChem CID53207521
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2CC
InChIInChI=1S/C22H27N5O3/c1-3-21(28)23-16-7-8-18-17(14-16)24-20(27(18)4-2)15-25-9-11-26(12-10-25)22(29)19-6-5-13-30-19/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,28)
InChIKeyNONPWGHSOXEEKL-UHFFFAOYSA-N
XLogP2.96
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17236050
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236159
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide?
The IUPAC name of N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide (CID 53207521) is N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2CC.
What is the InChIKey of N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide?
The InChIKey is NONPWGHSOXEEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-3-21(28)23-16-7-8-18-17(14-16)24-20(27(18)4-2)15-25-9-11-26(12-10-25)22(29)19-6-5-13-30-19/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,28).
What are the key properties of N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide?
N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide has a molecular weight of 409.49 g/mol, XLogP of 2.96, 6 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-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 53207521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).