2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C23H26N4O3 — CID 112810656

IUPAC2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16(28)22-25-19-6-2-3-7-20(19)27(22)15-21(29)24-14-17-8-10-18(11-9-17)23(30)26-12-4-5-13-26/h2-3,6-11,16,28H,4-5,12-15H2,1H3,(H,24,29)
InChIKeyYOSHYUAWEQOJRH-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 112810656) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID112810656
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16(28)22-25-19-6-2-3-7-20(19)27(22)15-21(29)24-14-17-8-10-18(11-9-17)23(30)26-12-4-5-13-26/h2-3,6-11,16,28H,4-5,12-15H2,1H3,(H,24,29)
InChIKeyYOSHYUAWEQOJRH-UHFFFAOYSA-N
XLogP2.64
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 131927904
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030107
2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 97310895
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
4-[[[2-[2-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]methyl]benzoic acid
CID 4280142
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787844
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 112810656) is 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is CC(O)c1nc2ccccc2n1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is YOSHYUAWEQOJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(28)22-25-19-6-2-3-7-20(19)27(22)15-21(29)24-14-17-8-10-18(11-9-17)23(30)26-12-4-5-13-26/h2-3,6-11,16,28H,4-5,12-15H2,1H3,(H,24,29).
What are the key properties of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 112810656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).