1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea

C17H23N5O2 — CID 109398554

IUPAC1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H23N5O2/c1-21(11-14-3-2-4-15(14)23)17(24)20-10-13-5-6-19-16(9-13)22-8-7-18-12-22/h5-9,12,14-15,23H,2-4,10-11H2,1H3,(H,20,24)
InChIKeyXIWVKOQDFYDVPG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.57
Rot. Bonds5

About 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea

1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea (PubChem CID 109398554) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
PubChem CID109398554
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H23N5O2/c1-21(11-14-3-2-4-15(14)23)17(24)20-10-13-5-6-19-16(9-13)22-8-7-18-12-22/h5-9,12,14-15,23H,2-4,10-11H2,1H3,(H,20,24)
InChIKeyXIWVKOQDFYDVPG-UHFFFAOYSA-N
XLogP1.57
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 110933396
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methyl-1-(3-methylsulfanylcyclopentyl)urea
CID 71920804
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242725
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
CID 119859955
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 94565002
3-[(3-cyanophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397574

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea (CID 109398554) is 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)NCc1ccnc(-n2ccnc2)c1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea?
The InChIKey is XIWVKOQDFYDVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(11-14-3-2-4-15(14)23)17(24)20-10-13-5-6-19-16(9-13)22-8-7-18-12-22/h5-9,12,14-15,23H,2-4,10-11H2,1H3,(H,20,24).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea?
1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea has a molecular weight of 329.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea is sourced from PubChem (CID 109398554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).