N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide

C15H21N4O+ — CID 5085536

IUPACN-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCC1
InChIInChI=1S/C15H20N4O/c1-12(20)16-15-17-13-6-2-3-7-14(13)19(15)11-10-18-8-4-5-9-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,17,20)/p+1
InChIKeyQUJRVBCKJSMBTH-UHFFFAOYSA-O
MW273.36 g/mol
LogP0.67
Rot. Bonds4

About N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide

N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide (PubChem CID 5085536) has the molecular formula C15H21N4O+ and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
PubChem CID5085536
Molecular FormulaC15H21N4O+
Molecular Weight273.36 g/mol
Exact Mass273.17
IUPAC NameN-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCC1
InChIInChI=1S/C15H20N4O/c1-12(20)16-15-17-13-6-2-3-7-14(13)19(15)11-10-18-8-4-5-9-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,17,20)/p+1
InChIKeyQUJRVBCKJSMBTH-UHFFFAOYSA-O
XLogP0.67
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide
CID 3283337
4-iodo-1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 4750046
N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide
CID 807389
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624
4-[2-(methylamino)benzimidazol-1-yl]butan-2-one
CID 82359502
2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 17374527
N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]propanamide
CID 745084
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
4-[2-(ethylamino)benzimidazol-1-yl]butan-2-one
CID 82359609
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
2-(4-ethylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 4106183

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide (CID 5085536) is N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCC1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide?
The InChIKey is QUJRVBCKJSMBTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O/c1-12(20)16-15-17-13-6-2-3-7-14(13)19(15)11-10-18-8-4-5-9-18/h2-3,6-7H,4-5,8-11H2,1H3,(H,16,17,20)/p+1.
What are the key properties of N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide?
N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide has a molecular weight of 273.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 5085536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).