N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide

C24H26N4O3 — CID 78857621

IUPACN-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H26N4O3/c29-23(27-14-6-11-21(27)24(30)25-17-12-13-17)15-28-20-10-5-4-9-19(20)26-22(28)16-31-18-7-2-1-3-8-18/h1-5,7-10,17,21H,6,11-16H2,(H,25,30)
InChIKeyRNYRSOPXLSIQKG-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.88
Rot. Bonds7

About N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 78857621) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID78857621
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H26N4O3/c29-23(27-14-6-11-21(27)24(30)25-17-12-13-17)15-28-20-10-5-4-9-19(20)26-22(28)16-31-18-7-2-1-3-8-18/h1-5,7-10,17,21H,6,11-16H2,(H,25,30)
InChIKeyRNYRSOPXLSIQKG-UHFFFAOYSA-N
XLogP2.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide
CID 112758699
2-[2-(phenoxymethyl)benzimidazol-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 25356200
(2S)-1-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365503
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 37334061
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-cyclohexyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032294
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
CID 119213222
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide (CID 78857621) is N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is RNYRSOPXLSIQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(27-14-6-11-21(27)24(30)25-17-12-13-17)15-28-20-10-5-4-9-19(20)26-22(28)16-31-18-7-2-1-3-8-18/h1-5,7-10,17,21H,6,11-16H2,(H,25,30).
What are the key properties of N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78857621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).