N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C24H21N7O2 — CID 26124824

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C24H21N7O2/c1-30-24(27-28-29-30)17-8-7-9-18(14-17)25-23(32)15-31-21-13-6-5-12-20(21)26-22(31)16-33-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3,(H,25,32)
InChIKeyKCWSJRCMSBAGEJ-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.44
Rot. Bonds7

About N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 26124824) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID26124824
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C24H21N7O2/c1-30-24(27-28-29-30)17-8-7-9-18(14-17)25-23(32)15-31-21-13-6-5-12-20(21)26-22(31)16-33-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3,(H,25,32)
InChIKeyKCWSJRCMSBAGEJ-UHFFFAOYSA-N
XLogP3.44
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 60532359
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031923
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 26124824) is N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is Cn1nnnc1-c1cccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is KCWSJRCMSBAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-30-24(27-28-29-30)17-8-7-9-18(14-17)25-23(32)15-31-21-13-6-5-12-20(21)26-22(31)16-33-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3,(H,25,32).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 439.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 26124824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).