N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide

C24H29N3O2 — CID 75489193

IUPACN-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
SMILESCC(C)Cn1c(CNC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21
InChIInChI=1S/C24H29N3O2/c1-18(2)17-27-21-11-7-6-10-20(21)26-22(27)16-25-23(28)24(12-14-29-15-13-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,28)
InChIKeyOWZQXCYFOZBAJG-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.06
Rot. Bonds6

About N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide

N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide (PubChem CID 75489193) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
PubChem CID75489193
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
SMILESCC(C)Cn1c(CNC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21
InChIInChI=1S/C24H29N3O2/c1-18(2)17-27-21-11-7-6-10-20(21)26-22(27)16-25-23(28)24(12-14-29-15-13-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,28)
InChIKeyOWZQXCYFOZBAJG-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 47012382
1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 17484999
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 91640345
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 91821029
N-[(1S)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-4-phenyloxane-4-carboxamide
CID 91640712
4-(4-methoxyphenyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 91822927
1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 55539115
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970750
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide (CID 75489193) is N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide is CC(C)Cn1c(CNC(=O)C2(c3ccccc3)CCOCC2)nc2ccccc21.
What is the InChIKey of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is OWZQXCYFOZBAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)17-27-21-11-7-6-10-20(21)26-22(27)16-25-23(28)24(12-14-29-15-13-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,25,28).
What are the key properties of N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide?
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 75489193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).