N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide

C19H18FN3OS — CID 42819347

IUPACN-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1nccn1Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H18FN3OS/c20-15-5-3-14(4-6-15)12-22-10-9-21-18(22)13-23(16-7-8-16)19(24)17-2-1-11-25-17/h1-6,9-11,16H,7-8,12-13H2
InChIKeyMVTREZYYGPHFRZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.94
Rot. Bonds6

About N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide

N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 42819347) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID42819347
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1nccn1Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H18FN3OS/c20-15-5-3-14(4-6-15)12-22-10-9-21-18(22)13-23(16-7-8-16)19(24)17-2-1-11-25-17/h1-6,9-11,16H,7-8,12-13H2
InChIKeyMVTREZYYGPHFRZ-UHFFFAOYSA-N
XLogP3.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 46140102
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide
CID 42819585
N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820580
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4685996
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylthiophene-2-carboxamide
CID 42762783
N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
CID 42819247
N-cyclopropyl-N-[[5-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 42872565
N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26072826
N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819771
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide (CID 42819347) is N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1nccn1Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is MVTREZYYGPHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-15-5-3-14(4-6-15)12-22-10-9-21-18(22)13-23(16-7-8-16)19(24)17-2-1-11-25-17/h1-6,9-11,16H,7-8,12-13H2.
What are the key properties of N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide?
N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42819347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).