N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide

C23H28N6O2 — CID 91822886

IUPACN-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(C2CCCN2C(=O)CCNC(=O)c2cnccn2)nc2ccccc21
InChIInChI=1S/C23H28N6O2/c1-16(2)15-29-19-7-4-3-6-17(19)27-22(29)20-8-5-13-28(20)21(30)9-10-26-23(31)18-14-24-11-12-25-18/h3-4,6-7,11-12,14,16,20H,5,8-10,13,15H2,1-2H3,(H,26,31)
InChIKeyWUEIVRMAGGZMOI-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.97
Rot. Bonds7

About N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide

N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 91822886) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID91822886
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(C2CCCN2C(=O)CCNC(=O)c2cnccn2)nc2ccccc21
InChIInChI=1S/C23H28N6O2/c1-16(2)15-29-19-7-4-3-6-17(19)27-22(29)20-8-5-13-28(20)21(30)9-10-26-23(31)18-14-24-11-12-25-18/h3-4,6-7,11-12,14,16,20H,5,8-10,13,15H2,1-2H3,(H,26,31)
InChIKeyWUEIVRMAGGZMOI-UHFFFAOYSA-N
XLogP2.97
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91639137
[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 155486473
1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735820
N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide
CID 17027862
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
1-[(2R)-2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735816
1-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 50745323
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide (CID 91822886) is N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide is CC(C)Cn1c(C2CCCN2C(=O)CCNC(=O)c2cnccn2)nc2ccccc21.
What is the InChIKey of N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is WUEIVRMAGGZMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16(2)15-29-19-7-4-3-6-17(19)27-22(29)20-8-5-13-28(20)21(30)9-10-26-23(31)18-14-24-11-12-25-18/h3-4,6-7,11-12,14,16,20H,5,8-10,13,15H2,1-2H3,(H,26,31).
What are the key properties of N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide?
N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91822886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).