(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide

C20H27N5O — CID 92589504

IUPAC(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide
SMILESCCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C20H27N5O/c1-6-18-21-9-10-25(18)12-14(4)20(26)22-15-7-8-17-16(11-15)23-19(13(2)3)24(17)5/h7-11,13-14H,6,12H2,1-5H3,(H,22,26)/t14-/m0/s1
InChIKeyWIUCKFQIWWKACU-AWEZNQCLSA-N
MW353.47 g/mol
LogP3.73
Rot. Bonds6

About (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide

(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide (PubChem CID 92589504) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide
PubChem CID92589504
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide
SMILESCCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C20H27N5O/c1-6-18-21-9-10-25(18)12-14(4)20(26)22-15-7-8-17-16(11-15)23-19(13(2)3)24(17)5/h7-11,13-14H,6,12H2,1-5H3,(H,22,26)/t14-/m0/s1
InChIKeyWIUCKFQIWWKACU-AWEZNQCLSA-N
XLogP3.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide?
The IUPAC name of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide (CID 92589504) is (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide?
The canonical SMILES for (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide is CCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C.
What is the InChIKey of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide?
The InChIKey is WIUCKFQIWWKACU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N5O/c1-6-18-21-9-10-25(18)12-14(4)20(26)22-15-7-8-17-16(11-15)23-19(13(2)3)24(17)5/h7-11,13-14H,6,12H2,1-5H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide?
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide is sourced from PubChem (CID 92589504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).