N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide

C24H32N4O2 — CID 46231013

IUPACN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC3CCCC3)c2)C2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C24H32N4O2/c1-27-15-23(26-16-27)24(29)28(20-10-18-12-25-13-19(18)11-20)14-17-5-4-8-22(9-17)30-21-6-2-3-7-21/h4-5,8-9,15-16,18-21,25H,2-3,6-7,10-14H2,1H3/t18-,19+,20?
InChIKeyPAJUEHORDWKTSQ-YOFSQIOKSA-N
MW408.55 g/mol
LogP3.38
Rot. Bonds6

About N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide

N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide (PubChem CID 46231013) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide
PubChem CID46231013
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2cccc(OC3CCCC3)c2)C2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C24H32N4O2/c1-27-15-23(26-16-27)24(29)28(20-10-18-12-25-13-19(18)11-20)14-17-5-4-8-22(9-17)30-21-6-2-3-7-21/h4-5,8-9,15-16,18-21,25H,2-3,6-7,10-14H2,1H3/t18-,19+,20?
InChIKeyPAJUEHORDWKTSQ-YOFSQIOKSA-N
XLogP3.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
CID 158964319
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 70306979
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 66888537
N-cyclopentyl-N-[[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42246205
1-methyl-N-(thian-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 46916816
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 11844911
1-methylimidazole-4-carboxylic acid;1-methyl-N-(oxan-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide;N-[[3-(trifluoromethoxy)phenyl]methyl]oxan-4-amine
CID 160855433
N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944292
N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944388
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 11952389
N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 86690499

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide (CID 46231013) is N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2cccc(OC3CCCC3)c2)C2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is PAJUEHORDWKTSQ-YOFSQIOKSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-27-15-23(26-16-27)24(29)28(20-10-18-12-25-13-19(18)11-20)14-17-5-4-8-22(9-17)30-21-6-2-3-7-21/h4-5,8-9,15-16,18-21,25H,2-3,6-7,10-14H2,1H3/t18-,19+,20?.
What are the key properties of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide?
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 46231013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).