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

C20H21N7O — CID 71829715

IUPAC(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)n1c(CNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2ccccc21
InChIInChI=1S/C20H21N7O/c1-14(2)27-17-11-7-6-10-16(17)23-18(27)12-21-20(28)19(26-13-22-24-25-26)15-8-4-3-5-9-15/h3-11,13-14,19H,12H2,1-2H3,(H,21,28)/t19-/m0/s1
InChIKeyQDLJNJMJKIRWTK-IBGZPJMESA-N
MW375.44 g/mol
LogP2.51
Rot. Bonds6

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

(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71829715) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID71829715
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)n1c(CNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2ccccc21
InChIInChI=1S/C20H21N7O/c1-14(2)27-17-11-7-6-10-16(17)23-18(27)12-21-20(28)19(26-13-22-24-25-26)15-8-4-3-5-9-15/h3-11,13-14,19H,12H2,1-2H3,(H,21,28)/t19-/m0/s1
InChIKeyQDLJNJMJKIRWTK-IBGZPJMESA-N
XLogP2.51
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71709673
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91777982
N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212
(2S)-N-[2-(4-methoxyindol-1-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71829507
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124850563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide (CID 71829715) is (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide is CC(C)n1c(CNC(=O)[C@H](c2ccccc2)n2cnnn2)nc2ccccc21.
What is the InChIKey of (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is QDLJNJMJKIRWTK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N7O/c1-14(2)27-17-11-7-6-10-16(17)23-18(27)12-21-20(28)19(26-13-22-24-25-26)15-8-4-3-5-9-15/h3-11,13-14,19H,12H2,1-2H3,(H,21,28)/t19-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide?
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 375.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71829715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).