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

C23H28N4O3 — CID 17030107

IUPACN-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(CNC(=O)Cn2c(C(C)NC(=O)C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C23H28N4O3/c1-15(2)23(29)25-16(3)22-26-19-7-5-6-8-20(19)27(22)14-21(28)24-13-17-9-11-18(30-4)12-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyAXZLDMLMWZPLOG-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.19
Rot. Bonds8

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

N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (PubChem CID 17030107) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
PubChem CID17030107
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(CNC(=O)Cn2c(C(C)NC(=O)C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C23H28N4O3/c1-15(2)23(29)25-16(3)22-26-19-7-5-6-8-20(19)27(22)14-21(28)24-13-17-9-11-18(30-4)12-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyAXZLDMLMWZPLOG-UHFFFAOYSA-N
XLogP3.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029814
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972820
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972817
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide (CID 17030107) is N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is COc1ccc(CNC(=O)Cn2c(C(C)NC(=O)C(C)C)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
The InChIKey is AXZLDMLMWZPLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15(2)23(29)25-16(3)22-26-19-7-5-6-8-20(19)27(22)14-21(28)24-13-17-9-11-18(30-4)12-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide?
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide has a molecular weight of 408.50 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 17030107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).