N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide

C13H16N4O — CID 115160286

IUPACN-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O/c18-13(5-9-3-4-14-7-9)17-10-1-2-11-12(6-10)16-8-15-11/h1-2,6,8-9,14H,3-5,7H2,(H,15,16)(H,17,18)
InChIKeyHOEPDGUBIFOLTI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.50
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide

N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide (PubChem CID 115160286) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
PubChem CID115160286
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O/c18-13(5-9-3-4-14-7-9)17-10-1-2-11-12(6-10)16-8-15-11/h1-2,6,8-9,14H,3-5,7H2,(H,15,16)(H,17,18)
InChIKeyHOEPDGUBIFOLTI-UHFFFAOYSA-N
XLogP1.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-yl)-2-piperidin-2-ylacetamide
CID 115160451
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
N-pyrimidin-5-yl-2-pyrrolidin-3-ylacetamide
CID 107588558
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-piperidin-4-ylacetamide
CID 131891746
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide (CID 115160286) is N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is HOEPDGUBIFOLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(5-9-3-4-14-7-9)17-10-1-2-11-12(6-10)16-8-15-11/h1-2,6,8-9,14H,3-5,7H2,(H,15,16)(H,17,18).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide?
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 115160286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).