2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide

C17H25N5O — CID 119392643

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C17H25N5O/c1-14-20-15-5-2-3-6-16(15)22(14)13-17(23)19-7-4-10-21-11-8-18-9-12-21/h2-3,5-6,18H,4,7-13H2,1H3,(H,19,23)
InChIKeyAUGBLAWNSVUSDN-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.76
Rot. Bonds6

About 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119392643) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119392643
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NCCCN1CCNCC1
InChIInChI=1S/C17H25N5O/c1-14-20-15-5-2-3-6-16(15)22(14)13-17(23)19-7-4-10-21-11-8-18-9-12-21/h2-3,5-6,18H,4,7-13H2,1H3,(H,19,23)
InChIKeyAUGBLAWNSVUSDN-UHFFFAOYSA-N
XLogP0.76
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46295505
2-indolo[3,2-b]quinoxalin-6-yl-N-(2-piperazin-1-ylethyl)acetamide
CID 39070975
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119390648
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340418
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119393580
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 46324456

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide (CID 119392643) is 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide is Cc1nc2ccccc2n1CC(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is AUGBLAWNSVUSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14-20-15-5-2-3-6-16(15)22(14)13-17(23)19-7-4-10-21-11-8-18-9-12-21/h2-3,5-6,18H,4,7-13H2,1H3,(H,19,23).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119392643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).