N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide

C23H21F2N5O3 — CID 151447433

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESCOc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H21F2N5O3/c1-29-11-14(10-27-29)13-3-6-18-17(7-13)26-12-30(18)16-8-19(32-2)21(20(9-16)33-23(24)25)22(31)28-15-4-5-15/h3,6-12,15,23H,4-5H2,1-2H3,(H,28,31)
InChIKeyPFTXFNSHFZLJNT-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.93
Rot. Bonds7

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide (PubChem CID 151447433) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
PubChem CID151447433
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESCOc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H21F2N5O3/c1-29-11-14(10-27-29)13-3-6-18-17(7-13)26-12-30(18)16-8-19(32-2)21(20(9-16)33-23(24)25)22(31)28-15-4-5-15/h3,6-12,15,23H,4-5H2,1-2H3,(H,28,31)
InChIKeyPFTXFNSHFZLJNT-UHFFFAOYSA-N
XLogP3.93
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US10889571, Example 18
CID 146458624
N-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxybenzamide
CID 150136550
5-methoxy-1'-[2-(1-methylpyrazol-3-yl)-3H-benzimidazole-5-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 136164075
N-cyclopropyl-4-[6-(2-methoxybenzoyl)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylbenzamide
CID 66562178
N-cyclopropyl-2-methyl-4-[6-[3-(trifluoromethoxy)phenoxy]-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]benzamide
CID 66562986
N-cyclopropyl-4-[6-[3-(difluoromethoxy)phenoxy]-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylbenzamide
CID 66563081
N-cyclopropyl-4-[6-(3-methoxy-2-methylanilino)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylbenzamide
CID 66563180
4-[6-(3-methoxyphenoxy)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-N,2-dimethylbenzamide
CID 66563183
N-ethyl-4-[6-(3-methoxyphenoxy)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylbenzamide
CID 66563184
N-cyclopropyl-4-[6-(3-methoxyphenoxy)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylbenzamide
CID 66563303
N-cyclopropyl-2-methyl-4-[6-[4-(1,2,4-triazol-1-yl)phenoxy]-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]benzamide
CID 66563425
US10889571, Example 139
CID 146507858

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide (CID 151447433) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide is COc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
The InChIKey is PFTXFNSHFZLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-29-11-14(10-27-29)13-3-6-18-17(7-13)26-12-30(18)16-8-19(32-2)21(20(9-16)33-23(24)25)22(31)28-15-4-5-15/h3,6-12,15,23H,4-5H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide has a molecular weight of 453.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide is sourced from PubChem (CID 151447433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).