N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide

C16H20N4O — CID 56899436

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccccc1C1CCNC1
InChIInChI=1S/C16H20N4O/c21-16(19-8-6-13-10-18-11-20-13)15-4-2-1-3-14(15)12-5-7-17-9-12/h1-4,10-12,17H,5-9H2,(H,18,20)(H,19,21)
InChIKeySGGBLYCMLGGADP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide (PubChem CID 56899436) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide
PubChem CID56899436
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccccc1C1CCNC1
InChIInChI=1S/C16H20N4O/c21-16(19-8-6-13-10-18-11-20-13)15-4-2-1-3-14(15)12-5-7-17-9-12/h1-4,10-12,17H,5-9H2,(H,18,20)(H,19,21)
InChIKeySGGBLYCMLGGADP-UHFFFAOYSA-N
XLogP1.46
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide (CID 56899436) is N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide is O=C(NCCc1cnc[nH]1)c1ccccc1C1CCNC1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide?
The InChIKey is SGGBLYCMLGGADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-8-6-13-10-18-11-20-13)15-4-2-1-3-14(15)12-5-7-17-9-12/h1-4,10-12,17H,5-9H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56899436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).