2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

C23H29N3O2 — CID 55775677

IUPAC2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-16(28-19-10-8-9-18(15-19)23(3,4)5)22(27)24-13-14-26-17(2)25-20-11-6-7-12-21(20)26/h6-12,15-16H,13-14H2,1-5H3,(H,24,27)
InChIKeyZHIDLHSIEMSWKA-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.23
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (PubChem CID 55775677) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
PubChem CID55775677
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-16(28-19-10-8-9-18(15-19)23(3,4)5)22(27)24-13-14-26-17(2)25-20-11-6-7-12-21(20)26/h6-12,15-16H,13-14H2,1-5H3,(H,24,27)
InChIKeyZHIDLHSIEMSWKA-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
2-(2-bromo-4-methylphenoxy)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 55794081
2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 55408770
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775708

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (CID 55775677) is 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is Cc1nc2ccccc2n1CCNC(=O)C(C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is ZHIDLHSIEMSWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(28-19-10-8-9-18(15-19)23(3,4)5)22(27)24-13-14-26-17(2)25-20-11-6-7-12-21(20)26/h6-12,15-16H,13-14H2,1-5H3,(H,24,27).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 55775677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).