6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide

C20H20F3N5O3 — CID 69427502

IUPAC6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCNC(=O)c1nc2ccc(CCNC(=O)Nc3cccc(OC)c3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C20H20F3N5O3/c1-24-18(29)17-26-12-7-6-11(10-14(12)27-17)8-9-25-19(30)28-13-4-3-5-15(31-2)16(13)20(21,22)23/h3-7,10H,8-9H2,1-2H3,(H,24,29)(H,26,27)(H2,25,28,30)
InChIKeyBHUUHMBHGZXUSC-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.31
Rot. Bonds6

About 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide

6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide (PubChem CID 69427502) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide
PubChem CID69427502
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCNC(=O)c1nc2ccc(CCNC(=O)Nc3cccc(OC)c3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C20H20F3N5O3/c1-24-18(29)17-26-12-7-6-11(10-14(12)27-17)8-9-25-19(30)28-13-4-3-5-15(31-2)16(13)20(21,22)23/h3-7,10H,8-9H2,1-2H3,(H,24,29)(H,26,27)(H2,25,28,30)
InChIKeyBHUUHMBHGZXUSC-UHFFFAOYSA-N
XLogP3.31
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
CID 69452059
7-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methylisoquinoline-3-carboxamide
CID 11190042
1-(5-chloro-2-methoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 3841185
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 110606666
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide (CID 69427502) is 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide is CNC(=O)c1nc2ccc(CCNC(=O)Nc3cccc(OC)c3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
The InChIKey is BHUUHMBHGZXUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-24-18(29)17-26-12-7-6-11(10-14(12)27-17)8-9-25-19(30)28-13-4-3-5-15(31-2)16(13)20(21,22)23/h3-7,10H,8-9H2,1-2H3,(H,24,29)(H,26,27)(H2,25,28,30).
What are the key properties of 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide?
6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3-methoxy-2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 69427502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).