3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide

C18H23FN4O — CID 119837332

IUPAC3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCC(N)C1)c1cccc(F)c1
InChIInChI=1S/C18H23FN4O/c1-23-9-8-21-17(23)16(12-4-2-6-14(19)10-12)22-18(24)13-5-3-7-15(20)11-13/h2,4,6,8-10,13,15-16H,3,5,7,11,20H2,1H3,(H,22,24)
InChIKeyFKUQDIUNACTJMS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.28
Rot. Bonds4

About 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide

3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 119837332) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID119837332
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCC(N)C1)c1cccc(F)c1
InChIInChI=1S/C18H23FN4O/c1-23-9-8-21-17(23)16(12-4-2-6-14(19)10-12)22-18(24)13-5-3-7-15(20)11-13/h2,4,6,8-10,13,15-16H,3,5,7,11,20H2,1H3,(H,22,24)
InChIKeyFKUQDIUNACTJMS-UHFFFAOYSA-N
XLogP2.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 95134781
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 94149785
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 55453673
(2R)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 31503253
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166198555
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (CID 119837332) is 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is Cn1ccnc1C(NC(=O)C1CCCC(N)C1)c1cccc(F)c1.
What is the InChIKey of 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is FKUQDIUNACTJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-23-9-8-21-17(23)16(12-4-2-6-14(19)10-12)22-18(24)13-5-3-7-15(20)11-13/h2,4,6,8-10,13,15-16H,3,5,7,11,20H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119837332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).