(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide

C20H27N5O — CID 97203876

IUPAC(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide
SMILESCCc1nc2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1cnn(C)c1C
InChIInChI=1S/C20H27N5O/c1-6-17(20(26)23(4)13-15-12-21-24(5)14(15)3)25-18-11-9-8-10-16(18)22-19(25)7-2/h8-12,17H,6-7,13H2,1-5H3/t17-/m0/s1
InChIKeyKWJCODBQUVHSEB-KRWDZBQOSA-N
MW353.47 g/mol
LogP3.25
Rot. Bonds6

About (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide

(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide (PubChem CID 97203876) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide
PubChem CID97203876
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide
SMILESCCc1nc2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1cnn(C)c1C
InChIInChI=1S/C20H27N5O/c1-6-17(20(26)23(4)13-15-12-21-24(5)14(15)3)25-18-11-9-8-10-16(18)22-19(25)7-2/h8-12,17H,6-7,13H2,1-5H3/t17-/m0/s1
InChIKeyKWJCODBQUVHSEB-KRWDZBQOSA-N
XLogP3.25
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide with MolForge

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Related Compounds

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2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 46976087
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
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(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
CID 125169618
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1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-[(3R)-3-phenylbutyl]urea
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N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide?
The IUPAC name of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide (CID 97203876) is (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide.
What is the SMILES notation for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide?
The canonical SMILES for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide is CCc1nc2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1cnn(C)c1C.
What is the InChIKey of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide?
The InChIKey is KWJCODBQUVHSEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O/c1-6-17(20(26)23(4)13-15-12-21-24(5)14(15)3)25-18-11-9-8-10-16(18)22-19(25)7-2/h8-12,17H,6-7,13H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide?
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide has a molecular weight of 353.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 97203876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).