1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide

C21H27ClFN3O — CID 123573230

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide
SMILESCN1C=CN(Cc2c(F)cccc2Cl)C1C(=O)N(CC1CCCC1)C1CC1
InChIInChI=1S/C21H27ClFN3O/c1-24-11-12-25(14-17-18(22)7-4-8-19(17)23)20(24)21(27)26(16-9-10-16)13-15-5-2-3-6-15/h4,7-8,11-12,15-16,20H,2-3,5-6,9-10,13-14H2,1H3
InChIKeySJYSMRLDHJJGIW-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.20
Rot. Bonds6

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide (PubChem CID 123573230) has the molecular formula C21H27ClFN3O and a molecular weight of 391.92 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide
PubChem CID123573230
Molecular FormulaC21H27ClFN3O
Molecular Weight391.92 g/mol
Exact Mass391.18
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide
SMILESCN1C=CN(Cc2c(F)cccc2Cl)C1C(=O)N(CC1CCCC1)C1CC1
InChIInChI=1S/C21H27ClFN3O/c1-24-11-12-25(14-17-18(22)7-4-8-19(17)23)20(24)21(27)26(16-9-10-16)13-15-5-2-3-6-15/h4,7-8,11-12,15-16,20H,2-3,5-6,9-10,13-14H2,1H3
InChIKeySJYSMRLDHJJGIW-UHFFFAOYSA-N
XLogP4.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171336100
N-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(cyclopentylmethyl)cyclopropanamine
CID 42695024
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
CID 54945915
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633
2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 6734114
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
2-[[1-[3-(2-chloro-6-fluorophenyl)propyl]azepan-4-yl]-methylamino]acetic acid
CID 122043467

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide (CID 123573230) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide is CN1C=CN(Cc2c(F)cccc2Cl)C1C(=O)N(CC1CCCC1)C1CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide?
The InChIKey is SJYSMRLDHJJGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClFN3O/c1-24-11-12-25(14-17-18(22)7-4-8-19(17)23)20(24)21(27)26(16-9-10-16)13-15-5-2-3-6-15/h4,7-8,11-12,15-16,20H,2-3,5-6,9-10,13-14H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopentylmethyl)-N-cyclopropyl-3-methyl-2H-imidazole-2-carboxamide is sourced from PubChem (CID 123573230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).