N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide

C25H24F3N7O — CID 44524050

IUPACN-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N(Cc1cncn1Cc1cccc(C(F)(F)F)c1)CC1CC1
InChIInChI=1S/C25H24F3N7O/c26-25(27,28)21-3-1-2-20(10-21)14-34-16-29-12-23(34)15-33(13-19-4-5-19)24(36)11-18-6-8-22(9-7-18)35-17-30-31-32-35/h1-3,6-10,12,16-17,19H,4-5,11,13-15H2
InChIKeyDVCZCQHUFIBCFZ-UHFFFAOYSA-N
MW495.51 g/mol
LogP3.91
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide

N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide (PubChem CID 44524050) has the molecular formula C25H24F3N7O and a molecular weight of 495.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide
PubChem CID44524050
Molecular FormulaC25H24F3N7O
Molecular Weight495.51 g/mol
Exact Mass495.20
IUPAC NameN-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N(Cc1cncn1Cc1cccc(C(F)(F)F)c1)CC1CC1
InChIInChI=1S/C25H24F3N7O/c26-25(27,28)21-3-1-2-20(10-21)14-34-16-29-12-23(34)15-33(13-19-4-5-19)24(36)11-18-6-8-22(9-7-18)35-17-30-31-32-35/h1-3,6-10,12,16-17,19H,4-5,11,13-15H2
InChIKeyDVCZCQHUFIBCFZ-UHFFFAOYSA-N
XLogP3.91
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(tetrazol-1-yl)phenyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 78858538
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548
4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 75298627
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51966521
N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 44524052
N-cyclopentyl-N-phenyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75462753
N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42346526
N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide
CID 44524053
N-[2-[butyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-ethyl-2-phenylacetamide
CID 4676986

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide (CID 44524050) is N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)N(Cc1cncn1Cc1cccc(C(F)(F)F)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide?
The InChIKey is DVCZCQHUFIBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O/c26-25(27,28)21-3-1-2-20(10-21)14-34-16-29-12-23(34)15-33(13-19-4-5-19)24(36)11-18-6-8-22(9-7-18)35-17-30-31-32-35/h1-3,6-10,12,16-17,19H,4-5,11,13-15H2.
What are the key properties of N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide?
N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide has a molecular weight of 495.51 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide is sourced from PubChem (CID 44524050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).