N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide

C19H26N4O — CID 56884377

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cccc(C2CCNC2)c1
InChIInChI=1S/C19H26N4O/c1-3-10-23(14-18-21-9-11-22(18)2)19(24)16-6-4-5-15(12-16)17-7-8-20-13-17/h4-6,9,11-12,17,20H,3,7-8,10,13-14H2,1-2H3
InChIKeyFPKAVYRZUGWLQM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.55
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide

N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide (PubChem CID 56884377) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide
PubChem CID56884377
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide
SMILESCCCN(Cc1nccn1C)C(=O)c1cccc(C2CCNC2)c1
InChIInChI=1S/C19H26N4O/c1-3-10-23(14-18-21-9-11-22(18)2)19(24)16-6-4-5-15(12-16)17-7-8-20-13-17/h4-6,9,11-12,17,20H,3,7-8,10,13-14H2,1-2H3
InChIKeyFPKAVYRZUGWLQM-UHFFFAOYSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide (CID 56884377) is N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide is CCCN(Cc1nccn1C)C(=O)c1cccc(C2CCNC2)c1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide?
The InChIKey is FPKAVYRZUGWLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-10-23(14-18-21-9-11-22(18)2)19(24)16-6-4-5-15(12-16)17-7-8-20-13-17/h4-6,9,11-12,17,20H,3,7-8,10,13-14H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide?
N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-propyl-3-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56884377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).