N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide

C22H27N5O3 — CID 17236050

IUPACN-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2C
InChIInChI=1S/C22H27N5O3/c1-3-5-21(28)23-16-7-8-18-17(14-16)24-20(25(18)2)15-26-9-11-27(12-10-26)22(29)19-6-4-13-30-19/h4,6-8,13-14H,3,5,9-12,15H2,1-2H3,(H,23,28)
InChIKeyZYCBHRUUUCPTMD-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide

N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide (PubChem CID 17236050) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide
PubChem CID17236050
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2C
InChIInChI=1S/C22H27N5O3/c1-3-5-21(28)23-16-7-8-18-17(14-16)24-20(25(18)2)15-26-9-11-27(12-10-26)22(29)19-6-4-13-30-19/h4,6-8,13-14H,3,5,9-12,15H2,1-2H3,(H,23,28)
InChIKeyZYCBHRUUUCPTMD-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide
CID 53207521
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
CID 7333667
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 4972904
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide?
The IUPAC name of N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide (CID 17236050) is N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide?
The canonical SMILES for N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2C.
What is the InChIKey of N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide?
The InChIKey is ZYCBHRUUUCPTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-3-5-21(28)23-16-7-8-18-17(14-16)24-20(25(18)2)15-26-9-11-27(12-10-26)22(29)19-6-4-13-30-19/h4,6-8,13-14H,3,5,9-12,15H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide?
N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide has a molecular weight of 409.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide is sourced from PubChem (CID 17236050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).