N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide

C25H33N5O — CID 23611201

IUPACN-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
SMILESCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)CC)ccc21
InChIInChI=1S/C25H33N5O/c1-3-12-30-23-11-10-21(26-25(31)4-2)17-22(23)27-24(30)19-29-15-13-28(14-16-29)18-20-8-6-5-7-9-20/h5-11,17H,3-4,12-16,18-19H2,1-2H3,(H,26,31)
InChIKeyRHBQBISZXZFDKA-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.11
Rot. Bonds8

About N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide

N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide (PubChem CID 23611201) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
PubChem CID23611201
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC NameN-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
SMILESCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)CC)ccc21
InChIInChI=1S/C25H33N5O/c1-3-12-30-23-11-10-21(26-25(31)4-2)17-22(23)27-24(30)19-29-15-13-28(14-16-29)18-20-8-6-5-7-9-20/h5-11,17H,3-4,12-16,18-19H2,1-2H3,(H,26,31)
InChIKeyRHBQBISZXZFDKA-UHFFFAOYSA-N
XLogP4.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
N-[1-ethyl-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-5-yl]propanamide
CID 53207521
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 50745132
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide?
The IUPAC name of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide (CID 23611201) is N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide.
What is the SMILES notation for N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide?
The canonical SMILES for N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide is CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)CC)ccc21.
What is the InChIKey of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide?
The InChIKey is RHBQBISZXZFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-3-12-30-23-11-10-21(26-25(31)4-2)17-22(23)27-24(30)19-29-15-13-28(14-16-29)18-20-8-6-5-7-9-20/h5-11,17H,3-4,12-16,18-19H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide?
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide has a molecular weight of 419.57 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide is sourced from PubChem (CID 23611201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).