1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

C21H21N7O — CID 91946745

IUPAC1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H21N7O/c29-20(12-15-7-9-17(10-8-15)28-14-22-25-26-28)27-11-3-4-16(13-27)21-23-18-5-1-2-6-19(18)24-21/h1-2,5-10,14,16H,3-4,11-13H2,(H,23,24)
InChIKeyKQOAQDZUFZGXGK-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.49
Rot. Bonds4

About 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (PubChem CID 91946745) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
PubChem CID91946745
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H21N7O/c29-20(12-15-7-9-17(10-8-15)28-14-22-25-26-28)27-11-3-4-16(13-27)21-23-18-5-1-2-6-19(18)24-21/h1-2,5-10,14,16H,3-4,11-13H2,(H,23,24)
InChIKeyKQOAQDZUFZGXGK-UHFFFAOYSA-N
XLogP2.49
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 91947231
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-4-fluorophenyl)ethanone
CID 55855920
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 95869645
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51725949
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
1-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 136533491
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
CID 55790773

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (CID 91946745) is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The InChIKey is KQOAQDZUFZGXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c29-20(12-15-7-9-17(10-8-15)28-14-22-25-26-28)27-11-3-4-16(13-27)21-23-18-5-1-2-6-19(18)24-21/h1-2,5-10,14,16H,3-4,11-13H2,(H,23,24).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone has a molecular weight of 387.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 91946745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).