N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide

C23H29N5O — CID 4886719

IUPACN-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C
InChIInChI=1S/C23H29N5O/c1-3-23(29)24-18-9-10-21-20(17-18)25-22(26(21)2)11-12-27-13-15-28(16-14-27)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3,(H,24,29)
InChIKeyICZBCJMQZFSWCQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.29
Rot. Bonds6

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

N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide (PubChem CID 4886719) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
PubChem CID4886719
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C
InChIInChI=1S/C23H29N5O/c1-3-23(29)24-18-9-10-21-20(17-18)25-22(26(21)2)11-12-27-13-15-28(16-14-27)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3,(H,24,29)
InChIKeyICZBCJMQZFSWCQ-UHFFFAOYSA-N
XLogP3.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 4898424
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
1-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4902774
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 4887385
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 4972904
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
CID 4890091
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]-4-nitrobenzamide
CID 4895623
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4895850

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The IUPAC name of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide (CID 4886719) is N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(c3ccccc3)CC1)n2C.
What is the InChIKey of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The InChIKey is ICZBCJMQZFSWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-3-23(29)24-18-9-10-21-20(17-18)25-22(26(21)2)11-12-27-13-15-28(16-14-27)19-7-5-4-6-8-19/h4-10,17H,3,11-16H2,1-2H3,(H,24,29).
What are the key properties of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 4886719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).