1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea

C18H23FN4O2 — CID 94149785

IUPAC1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
SMILESCn1ccnc1[C@@H](NC(=O)NC1CCC(O)CC1)c1cccc(F)c1
InChIInChI=1S/C18H23FN4O2/c1-23-10-9-20-17(23)16(12-3-2-4-13(19)11-12)22-18(25)21-14-5-7-15(24)8-6-14/h2-4,9-11,14-16,24H,5-8H2,1H3,(H2,21,22,25)/t14?,15?,16-/m0/s1
InChIKeyWVUQOJBHNNTLDM-GPANFISMSA-N
MW346.41 g/mol
LogP2.25
Rot. Bonds4

About 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea

1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 94149785) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID94149785
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
SMILESCn1ccnc1[C@@H](NC(=O)NC1CCC(O)CC1)c1cccc(F)c1
InChIInChI=1S/C18H23FN4O2/c1-23-10-9-20-17(23)16(12-3-2-4-13(19)11-12)22-18(25)21-14-5-7-15(24)8-6-14/h2-4,9-11,14-16,24H,5-8H2,1H3,(H2,21,22,25)/t14?,15?,16-/m0/s1
InChIKeyWVUQOJBHNNTLDM-GPANFISMSA-N
XLogP2.25
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 95134781
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
(1R)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 31503500
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 55453673
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119837332
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42942160
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38202466
1-[[4-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597992

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea (CID 94149785) is 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea is Cn1ccnc1[C@@H](NC(=O)NC1CCC(O)CC1)c1cccc(F)c1.
What is the InChIKey of 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is WVUQOJBHNNTLDM-GPANFISMSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-23-10-9-20-17(23)16(12-3-2-4-13(19)11-12)22-18(25)21-14-5-7-15(24)8-6-14/h2-4,9-11,14-16,24H,5-8H2,1H3,(H2,21,22,25)/t14?,15?,16-/m0/s1.
What are the key properties of 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea?
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 346.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 94149785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).