4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide

C20H20F2N4O — CID 87013843

IUPAC4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide
SMILESCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nccn1C(F)F
InChIInChI=1S/C20H20F2N4O/c1-25(14-18-23-11-12-26(18)20(21)22)13-15-7-9-16(10-8-15)19(27)24-17-5-3-2-4-6-17/h2-12,20H,13-14H2,1H3,(H,24,27)
InChIKeyLMQWXUYZLIJKKV-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.16
Rot. Bonds7

About 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide

4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide (PubChem CID 87013843) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide
PubChem CID87013843
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide
SMILESCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nccn1C(F)F
InChIInChI=1S/C20H20F2N4O/c1-25(14-18-23-11-12-26(18)20(21)22)13-15-7-9-16(10-8-15)19(27)24-17-5-3-2-4-6-17/h2-12,20H,13-14H2,1H3,(H,24,27)
InChIKeyLMQWXUYZLIJKKV-UHFFFAOYSA-N
XLogP4.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide
CID 71988778
3-[2-(benzenesulfonyl)ethyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 87038968
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
tert-butyl N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 78848789
(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide
CID 95902916
N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine
CID 104859070

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide (CID 87013843) is 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide is CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nccn1C(F)F.
What is the InChIKey of 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide?
The InChIKey is LMQWXUYZLIJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-25(14-18-23-11-12-26(18)20(21)22)13-15-7-9-16(10-8-15)19(27)24-17-5-3-2-4-6-17/h2-12,20H,13-14H2,1H3,(H,24,27).
What are the key properties of 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide?
4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide has a molecular weight of 370.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 87013843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).