(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C18H24N4O2 — CID 95331095

IUPAC(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c1-11(2)18(24)22-10-6-9-15(22)17(23)19-12(3)16-20-13-7-4-5-8-14(13)21-16/h4-5,7-8,11-12,15H,6,9-10H2,1-3H3,(H,19,23)(H,20,21)/t12-,15+/m0/s1
InChIKeyMFQRONSVFNPHKJ-SWLSCSKDSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds4

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

(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 95331095) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID95331095
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c1-11(2)18(24)22-10-6-9-15(22)17(23)19-12(3)16-20-13-7-4-5-8-14(13)21-16/h4-5,7-8,11-12,15H,6,9-10H2,1-3H3,(H,19,23)(H,20,21)/t12-,15+/m0/s1
InChIKeyMFQRONSVFNPHKJ-SWLSCSKDSA-N
XLogP2.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331098
tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 78806775
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
CID 124620774
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55875729
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
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-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 78925715
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 95331095) is (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is MFQRONSVFNPHKJ-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)18(24)22-10-6-9-15(22)17(23)19-12(3)16-20-13-7-4-5-8-14(13)21-16/h4-5,7-8,11-12,15H,6,9-10H2,1-3H3,(H,19,23)(H,20,21)/t12-,15+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95331095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).