N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide

C22H23N5O — CID 118725855

IUPACN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H23N5O/c28-21(19-15-16-7-1-2-8-17(16)23-19)25-22-24-18-9-3-4-10-20(18)27(22)14-13-26-11-5-6-12-26/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,25,28)
InChIKeyLDIAEHPRJRMEHP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.87
Rot. Bonds5

About N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide

N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 118725855) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide
PubChem CID118725855
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H23N5O/c28-21(19-15-16-7-1-2-8-17(16)23-19)25-22-24-18-9-3-4-10-20(18)27(22)14-13-26-11-5-6-12-26/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,25,28)
InChIKeyLDIAEHPRJRMEHP-UHFFFAOYSA-N
XLogP3.87
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2099
Bix 02565
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Deoxytopsentin
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PKCbeta Inhibitor
CID 6419755
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
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1-[(3R)-1-[(5-bromo-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-2-ethyl-1H-1,3-benzodiazole
CID 24776355
2-ethyl-1-[(3R)-1-[(5-ethyl-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776357
2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190732
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
(S)-1,3''-bipyrrolidin-1''-yl(4-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 25031073

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide (CID 118725855) is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide is O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is LDIAEHPRJRMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-21(19-15-16-7-1-2-8-17(16)23-19)25-22-24-18-9-3-4-10-20(18)27(22)14-13-26-11-5-6-12-26/h1-4,7-10,15,23H,5-6,11-14H2,(H,24,25,28).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide?
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118725855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).