6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole

C21H22N6 — CID 118173370

IUPAC6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc(-n2cc(CN3CCC(c4ccc5nc[nH]c5c4)CC3)nn2)cc1
InChIInChI=1S/C21H22N6/c1-2-4-19(5-3-1)27-14-18(24-25-27)13-26-10-8-16(9-11-26)17-6-7-20-21(12-17)23-15-22-20/h1-7,12,14-16H,8-11,13H2,(H,22,23)
InChIKeyUYRBTMPHYNWBLI-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.52
Rot. Bonds4

About 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole

6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 118173370) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID118173370
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc(-n2cc(CN3CCC(c4ccc5nc[nH]c5c4)CC3)nn2)cc1
InChIInChI=1S/C21H22N6/c1-2-4-19(5-3-1)27-14-18(24-25-27)13-26-10-8-16(9-11-26)17-6-7-20-21(12-17)23-15-22-20/h1-7,12,14-16H,8-11,13H2,(H,22,23)
InChIKeyUYRBTMPHYNWBLI-UHFFFAOYSA-N
XLogP3.52
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 118173476
2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730699
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine
CID 118168622
1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
CID 154817894
3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-5-[(sulfinoamino)methyl]pyridine
CID 155092225
N-[5-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-3-pyridinyl]propanamide
CID 118173523
1-[1-(3H-benzimidazol-5-yl)triazol-4-yl]-N,N-dimethylmethanamine
CID 166295022
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639
N-[1-(1-phenyltriazol-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 71969366
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
1-[[1-(3-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167600
9-[(1-phenyltriazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecane
CID 77095087

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 118173370) is 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole is c1ccc(-n2cc(CN3CCC(c4ccc5nc[nH]c5c4)CC3)nn2)cc1.
What is the InChIKey of 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is UYRBTMPHYNWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-2-4-19(5-3-1)27-14-18(24-25-27)13-26-10-8-16(9-11-26)17-6-7-20-21(12-17)23-15-22-20/h1-7,12,14-16H,8-11,13H2,(H,22,23).
What are the key properties of 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 358.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 118173370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).