1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea

C18H20N4O3 — CID 110896216

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)NCC(O)c1ccco1
InChIInChI=1S/C18H20N4O3/c23-16(17-2-1-9-25-17)11-21-18(24)20-10-14-3-5-15(6-4-14)12-22-8-7-19-13-22/h1-9,13,16,23H,10-12H2,(H2,20,21,24)
InChIKeyYGDOLRBJXJUDGP-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.06
Rot. Bonds7

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 110896216) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID110896216
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)NCC(O)c1ccco1
InChIInChI=1S/C18H20N4O3/c23-16(17-2-1-9-25-17)11-21-18(24)20-10-14-3-5-15(6-4-14)12-22-8-7-19-13-22/h1-9,13,16,23H,10-12H2,(H2,20,21,24)
InChIKeyYGDOLRBJXJUDGP-UHFFFAOYSA-N
XLogP2.06
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61462995
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 94029530
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37422815
(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
CID 96509471
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 55747958
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-imidazol-1-ylethyl)urea
CID 95151616
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111565611

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea (CID 110896216) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccc(Cn2ccnc2)cc1)NCC(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is YGDOLRBJXJUDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-16(17-2-1-9-25-17)11-21-18(24)20-10-14-3-5-15(6-4-14)12-22-8-7-19-13-22/h1-9,13,16,23H,10-12H2,(H2,20,21,24).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 340.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 110896216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).