N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide

C17H14ClN7O — CID 39989934

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C17H14ClN7O/c18-11-5-6-15(25-10-20-23-24-25)12(9-11)17(26)19-8-7-16-21-13-3-1-2-4-14(13)22-16/h1-6,9-10H,7-8H2,(H,19,26)(H,21,22)
InChIKeyQTFDITNAPKMPTI-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide (PubChem CID 39989934) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide
PubChem CID39989934
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C17H14ClN7O/c18-11-5-6-15(25-10-20-23-24-25)12(9-11)17(26)19-8-7-16-21-13-3-1-2-4-14(13)22-16/h1-6,9-10H,7-8H2,(H,19,26)(H,21,22)
InChIKeyQTFDITNAPKMPTI-UHFFFAOYSA-N
XLogP2.16
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-nitrobenzamide
CID 27161579
5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 75490916
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
N-[2-(6-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 56761302
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 56761342
2-bromo-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 46937609

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide (CID 39989934) is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide is O=C(NCCc1nc2ccccc2[nH]1)c1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide?
The InChIKey is QTFDITNAPKMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c18-11-5-6-15(25-10-20-23-24-25)12(9-11)17(26)19-8-7-16-21-13-3-1-2-4-14(13)22-16/h1-6,9-10H,7-8H2,(H,19,26)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide has a molecular weight of 367.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39989934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).