1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea

C17H24N4O2 — CID 110936525

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
SMILESO=C(NCCc1cn2ccccc2n1)NCC1(O)CCCCC1
InChIInChI=1S/C17H24N4O2/c22-16(19-13-17(23)8-3-1-4-9-17)18-10-7-14-12-21-11-5-2-6-15(21)20-14/h2,5-6,11-12,23H,1,3-4,7-10,13H2,(H2,18,19,22)
InChIKeyWWOBELVIZCOJRK-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.87
Rot. Bonds5

About 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea

1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea (PubChem CID 110936525) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
PubChem CID110936525
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
SMILESO=C(NCCc1cn2ccccc2n1)NCC1(O)CCCCC1
InChIInChI=1S/C17H24N4O2/c22-16(19-13-17(23)8-3-1-4-9-17)18-10-7-14-12-21-11-5-2-6-15(21)20-14/h2,5-6,11-12,23H,1,3-4,7-10,13H2,(H2,18,19,22)
InChIKeyWWOBELVIZCOJRK-UHFFFAOYSA-N
XLogP1.87
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 36505486
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94171449
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 71893430
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55922211
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]oxan-4-ol
CID 79032623
1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea
CID 71899681
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
CID 31686010
1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 78858222
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55597564
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71915147
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea (CID 110936525) is 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea is O=C(NCCc1cn2ccccc2n1)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
The InChIKey is WWOBELVIZCOJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(19-13-17(23)8-3-1-4-9-17)18-10-7-14-12-21-11-5-2-6-15(21)20-14/h2,5-6,11-12,23H,1,3-4,7-10,13H2,(H2,18,19,22).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea has a molecular weight of 316.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea is sourced from PubChem (CID 110936525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).