(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C17H19N7O — CID 125444082

IUPAC(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H19N7O/c25-16(19-10-17(6-7-17)11-23-9-8-18-12-23)15(24-13-20-21-22-24)14-4-2-1-3-5-14/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,19,25)/t15-/m0/s1
InChIKeyUSZZXOAQYNKJSI-HNNXBMFYSA-N
MW337.39 g/mol
LogP1.06
Rot. Bonds7

About (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 125444082) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID125444082
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H19N7O/c25-16(19-10-17(6-7-17)11-23-9-8-18-12-23)15(24-13-20-21-22-24)14-4-2-1-3-5-14/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,19,25)/t15-/m0/s1
InChIKeyUSZZXOAQYNKJSI-HNNXBMFYSA-N
XLogP1.06
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 99797044
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
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
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266135
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91777982
3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 122572315
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266729

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 125444082) is (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NCC1(Cn2ccnc2)CC1)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is USZZXOAQYNKJSI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-16(19-10-17(6-7-17)11-23-9-8-18-12-23)15(24-13-20-21-22-24)14-4-2-1-3-5-14/h1-5,8-9,12-13,15H,6-7,10-11H2,(H,19,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 337.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 125444082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).