N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C16H26N4O2 — CID 56702105

IUPACN-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC1CCN(C2CCCCCC2)C1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c21-15(14-10-18-16(22)19-14)17-9-12-7-8-20(11-12)13-5-3-1-2-4-6-13/h10,12-13H,1-9,11H2,(H,17,21)(H2,18,19,22)
InChIKeyPJYFBYQUYDVDSB-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.48
Rot. Bonds4

About N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 56702105) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID56702105
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC1CCN(C2CCCCCC2)C1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c21-15(14-10-18-16(22)19-14)17-9-12-7-8-20(11-12)13-5-3-1-2-4-6-13/h10,12-13H,1-9,11H2,(H,17,21)(H2,18,19,22)
InChIKeyPJYFBYQUYDVDSB-UHFFFAOYSA-N
XLogP1.48
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydroimidazole-5-carboxamide
CID 145040181
4-(3-Pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 54885852
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61231699
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61232582
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
CID 61232669
4-(3-Amino-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-dihydroimidazol-2-one
CID 61235899
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61237542
4-(3-Aminopyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 62067810
4-[3-(Aminomethyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 62069433
4-(2-Pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 62275240
2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 62541455
4-(2-Pyrrolidin-2-ylpiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 63256452

Frequently Asked Questions

What is the IUPAC name of N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 56702105) is N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCC1CCN(C2CCCCCC2)C1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is PJYFBYQUYDVDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-15(14-10-18-16(22)19-14)17-9-12-7-8-20(11-12)13-5-3-1-2-4-6-13/h10,12-13H,1-9,11H2,(H,17,21)(H2,18,19,22).
What are the key properties of N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptylpyrrolidin-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 56702105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).