2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide

C18H19F2N5O2 — CID 166281315

IUPAC2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)Cc1nc2ccc(NC(=O)c3oc(C4CC4)nc3C(F)F)cc2[nH]1
InChIInChI=1S/C18H19F2N5O2/c1-25(2)8-13-22-11-6-5-10(7-12(11)23-13)21-17(26)15-14(16(19)20)24-18(27-15)9-3-4-9/h5-7,9,16H,3-4,8H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyXBHMXPWDRXPXTJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.68
Rot. Bonds6

About 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide

2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide (PubChem CID 166281315) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide
PubChem CID166281315
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)Cc1nc2ccc(NC(=O)c3oc(C4CC4)nc3C(F)F)cc2[nH]1
InChIInChI=1S/C18H19F2N5O2/c1-25(2)8-13-22-11-6-5-10(7-12(11)23-13)21-17(26)15-14(16(19)20)24-18(27-15)9-3-4-9/h5-7,9,16H,3-4,8H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyXBHMXPWDRXPXTJ-UHFFFAOYSA-N
XLogP3.68
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide
CID 166327747
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 166327748
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798737
2-cyclopropyl-4-(difluoromethyl)-N-(1,4,4-trimethylcyclohexyl)-1,3-oxazole-5-carboxamide
CID 138008927
2-cyclopropyl-4-(difluoromethyl)-N-imidazo[1,2-a]pyridin-5-yl-1,3-oxazole-5-carboxamide
CID 154845017
N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 7421194
N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 45493372
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 60604198

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide (CID 166281315) is 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide is CN(C)Cc1nc2ccc(NC(=O)c3oc(C4CC4)nc3C(F)F)cc2[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is XBHMXPWDRXPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-25(2)8-13-22-11-6-5-10(7-12(11)23-13)21-17(26)15-14(16(19)20)24-18(27-15)9-3-4-9/h5-7,9,16H,3-4,8H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide?
2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166281315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).