N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

C26H32N4O3 — CID 17030548

IUPACN-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(CNC(=O)Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-33-21-13-11-19(12-14-21)17-28-25(31)18-30-23-10-6-5-9-22(23)29-24(30)15-16-27-26(32)20-7-3-2-4-8-20/h5-6,9-14,20H,2-4,7-8,15-18H2,1H3,(H,27,32)(H,28,31)
InChIKeyAYSIZVOSAGVGJA-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.60
Rot. Bonds9

About N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 17030548) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID17030548
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(CNC(=O)Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-33-21-13-11-19(12-14-21)17-28-25(31)18-30-23-10-6-5-9-22(23)29-24(30)15-16-27-26(32)20-7-3-2-4-8-20/h5-6,9-14,20H,2-4,7-8,15-18H2,1H3,(H,27,32)(H,28,31)
InChIKeyAYSIZVOSAGVGJA-UHFFFAOYSA-N
XLogP3.60
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
propan-2-yl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975126
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029158
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975107
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 17030548) is N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is COc1ccc(CNC(=O)Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is AYSIZVOSAGVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-33-21-13-11-19(12-14-21)17-28-25(31)18-30-23-10-6-5-9-22(23)29-24(30)15-16-27-26(32)20-7-3-2-4-8-20/h5-6,9-14,20H,2-4,7-8,15-18H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 17030548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).