N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C26H28F3N5O2 — CID 66751667

IUPACN-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N(C1CCC(c2ccc3nc[nH]c3c2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H28F3N5O2/c27-26(28,29)19-3-1-2-18(10-19)25(36)31-14-24(35)34(21-12-30-13-21)20-7-4-16(5-8-20)17-6-9-22-23(11-17)33-15-32-22/h1-3,6,9-11,15-16,20-21,30H,4-5,7-8,12-14H2,(H,31,36)(H,32,33)
InChIKeyDRCOASXXHAXEQA-UHFFFAOYSA-N
MW499.54 g/mol
LogP3.84
Rot. Bonds6

About N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 66751667) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID66751667
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC NameN-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N(C1CCC(c2ccc3nc[nH]c3c2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H28F3N5O2/c27-26(28,29)19-3-1-2-18(10-19)25(36)31-14-24(35)34(21-12-30-13-21)20-7-4-16(5-8-20)17-6-9-22-23(11-17)33-15-32-22/h1-3,6,9-11,15-16,20-21,30H,4-5,7-8,12-14H2,(H,31,36)(H,32,33)
InChIKeyDRCOASXXHAXEQA-UHFFFAOYSA-N
XLogP3.84
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[2-[azetidin-3-yl-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 67424492
N-[2-[azetidin-3-yl-[4-(5-bromo-2-pyridinyl)-4-hydroxycyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 67425123
N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 67425221
N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-3H-benzimidazole-5-carboxamide
CID 31871647
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[2-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556091
N-[2-[[(3S,4S)-3-[4-(4-bromophenyl)cyclohexyl]-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69367580
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475309

Frequently Asked Questions

What is the IUPAC name of N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 66751667) is N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(NCC(=O)N(C1CCC(c2ccc3nc[nH]c3c2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DRCOASXXHAXEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c27-26(28,29)19-3-1-2-18(10-19)25(36)31-14-24(35)34(21-12-30-13-21)20-7-4-16(5-8-20)17-6-9-22-23(11-17)33-15-32-22/h1-3,6,9-11,15-16,20-21,30H,4-5,7-8,12-14H2,(H,31,36)(H,32,33).
What are the key properties of N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 499.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 66751667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).