(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide

C16H22N4O — CID 124589881

IUPAC(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
SMILESCC[C@H]1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-3-12-8-9-20(10-12)16(21)17-11(2)15-18-13-6-4-5-7-14(13)19-15/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,12+/m1/s1
InChIKeyYVQOPORKRCHVIE-NEPJUHHUSA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds3

About (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide

(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide (PubChem CID 124589881) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
PubChem CID124589881
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
SMILESCC[C@H]1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-3-12-8-9-20(10-12)16(21)17-11(2)15-18-13-6-4-5-7-14(13)19-15/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,12+/m1/s1
InChIKeyYVQOPORKRCHVIE-NEPJUHHUSA-N
XLogP3.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
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CID 115532400
1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
CID 171336437
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
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N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide (CID 124589881) is (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide is CC[C@H]1CCN(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide?
The InChIKey is YVQOPORKRCHVIE-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-12-8-9-20(10-12)16(21)17-11(2)15-18-13-6-4-5-7-14(13)19-15/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,21)(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide?
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 124589881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).