2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide

C21H23N7O — CID 71709673

IUPAC2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)n1c(CCNC(=O)C(c2ccccc2)n2cnnn2)nc2ccccc21
InChIInChI=1S/C21H23N7O/c1-15(2)28-18-11-7-6-10-17(18)24-19(28)12-13-22-21(29)20(27-14-23-25-26-27)16-8-4-3-5-9-16/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,29)
InChIKeyPHTSAESXPIQIQA-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.55
Rot. Bonds7

About 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide

2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71709673) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID71709673
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)n1c(CCNC(=O)C(c2ccccc2)n2cnnn2)nc2ccccc21
InChIInChI=1S/C21H23N7O/c1-15(2)28-18-11-7-6-10-17(18)24-19(28)12-13-22-21(29)20(27-14-23-25-26-27)16-8-4-3-5-9-16/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,29)
InChIKeyPHTSAESXPIQIQA-UHFFFAOYSA-N
XLogP2.55
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119866298
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 71709673) is 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide is CC(C)n1c(CCNC(=O)C(c2ccccc2)n2cnnn2)nc2ccccc21.
What is the InChIKey of 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is PHTSAESXPIQIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-15(2)28-18-11-7-6-10-17(18)24-19(28)12-13-22-21(29)20(27-14-23-25-26-27)16-8-4-3-5-9-16/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,29).
What are the key properties of 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide?
2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71709673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).