3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide

C20H14ClF3N4O3 — CID 164975208

IUPAC3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide
SMILESCOc1ccc(C(=O)NC2=NCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)=C2)cc1Cl
InChIInChI=1S/C20H14ClF3N4O3/c1-30-16-5-2-10(6-13(16)21)19(29)28-17-7-11(9-25-17)18-26-14-4-3-12(8-15(14)27-18)31-20(22,23)24/h2-8H,9H2,1H3,(H,26,27)(H,25,28,29)
InChIKeyDRIPZQWLRNCUSL-UHFFFAOYSA-N
MW450.80 g/mol
LogP4.35
Rot. Bonds4

About 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide

3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide (PubChem CID 164975208) has the molecular formula C20H14ClF3N4O3 and a molecular weight of 450.80 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide
PubChem CID164975208
Molecular FormulaC20H14ClF3N4O3
Molecular Weight450.80 g/mol
Exact Mass450.07
IUPAC Name3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide
SMILESCOc1ccc(C(=O)NC2=NCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)=C2)cc1Cl
InChIInChI=1S/C20H14ClF3N4O3/c1-30-16-5-2-10(6-13(16)21)19(29)28-17-7-11(9-25-17)18-26-14-4-3-12(8-15(14)27-18)31-20(22,23)24/h2-8H,9H2,1H3,(H,26,27)(H,25,28,29)
InChIKeyDRIPZQWLRNCUSL-UHFFFAOYSA-N
XLogP4.35
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.80
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-4-methoxybenzamide
CID 164966598
3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
CID 155161295
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
2-[3-chloro-4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68841961
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-(3-chloro-4-methoxyphenyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 135391803
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 173123224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide (CID 164975208) is 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide is COc1ccc(C(=O)NC2=NCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)=C2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide?
The InChIKey is DRIPZQWLRNCUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O3/c1-30-16-5-2-10(6-13(16)21)19(29)28-17-7-11(9-25-17)18-26-14-4-3-12(8-15(14)27-18)31-20(22,23)24/h2-8H,9H2,1H3,(H,26,27)(H,25,28,29).
What are the key properties of 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide?
3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide has a molecular weight of 450.80 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide is sourced from PubChem (CID 164975208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).