1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide

C23H28N4O2 — CID 131946409

IUPAC1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
SMILESCc1ccccc1C1CCN(CCNC(=O)c2ccc3c(c2)ncn3CCO)C1
InChIInChI=1S/C23H28N4O2/c1-17-4-2-3-5-20(17)19-8-10-26(15-19)11-9-24-23(29)18-6-7-22-21(14-18)25-16-27(22)12-13-28/h2-7,14,16,19,28H,8-13,15H2,1H3,(H,24,29)
InChIKeyPBJVFVFSBVRSSN-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.56
Rot. Bonds7

About 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide

1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide (PubChem CID 131946409) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
PubChem CID131946409
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
SMILESCc1ccccc1C1CCN(CCNC(=O)c2ccc3c(c2)ncn3CCO)C1
InChIInChI=1S/C23H28N4O2/c1-17-4-2-3-5-20(17)19-8-10-26(15-19)11-9-24-23(29)18-6-7-22-21(14-18)25-16-27(22)12-13-28/h2-7,14,16,19,28H,8-13,15H2,1H3,(H,24,29)
InChIKeyPBJVFVFSBVRSSN-UHFFFAOYSA-N
XLogP2.56
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124757330
2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 126450185
2-(2-hydroxyethyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 126437845
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
2-(ethylamino)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 97138436
2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 72841954
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244
5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
CID 72907620
2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 125166620
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53041061

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide (CID 131946409) is 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide is Cc1ccccc1C1CCN(CCNC(=O)c2ccc3c(c2)ncn3CCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide?
The InChIKey is PBJVFVFSBVRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-4-2-3-5-20(17)19-8-10-26(15-19)11-9-24-23(29)18-6-7-22-21(14-18)25-16-27(22)12-13-28/h2-7,14,16,19,28H,8-13,15H2,1H3,(H,24,29).
What are the key properties of 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide?
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 131946409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).