N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C18H31N5O2 — CID 71868060

IUPACN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)N1CCCC1CN1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-15(2)13-22-7-5-19-17(22)12-20-18(24)23-6-3-4-16(23)14-21-8-10-25-11-9-21/h5,7,15-16H,3-4,6,8-14H2,1-2H3,(H,20,24)
InChIKeyXVKIOHAUTTZBMF-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.55
Rot. Bonds6

About N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71868060) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71868060
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)N1CCCC1CN1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-15(2)13-22-7-5-19-17(22)12-20-18(24)23-6-3-4-16(23)14-21-8-10-25-11-9-21/h5,7,15-16H,3-4,6,8-14H2,1-2H3,(H,20,24)
InChIKeyXVKIOHAUTTZBMF-UHFFFAOYSA-N
XLogP1.55
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 71868060) is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is CC(C)Cn1ccnc1CNC(=O)N1CCCC1CN1CCOCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is XVKIOHAUTTZBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15(2)13-22-7-5-19-17(22)12-20-18(24)23-6-3-4-16(23)14-21-8-10-25-11-9-21/h5,7,15-16H,3-4,6,8-14H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71868060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).