[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone

C19H21N5O2 — CID 167890769

IUPAC[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCC1CN(c2ccncc2)CCN1C(=O)c1cccc2[nH]c(CO)nc12
InChIInChI=1S/C19H21N5O2/c1-13-11-23(14-5-7-20-8-6-14)9-10-24(13)19(26)15-3-2-4-16-18(15)22-17(12-25)21-16/h2-8,13,25H,9-12H2,1H3,(H,21,22)
InChIKeySDJNMZRBNAENTJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.80
Rot. Bonds3

About [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone

[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 167890769) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID167890769
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCC1CN(c2ccncc2)CCN1C(=O)c1cccc2[nH]c(CO)nc12
InChIInChI=1S/C19H21N5O2/c1-13-11-23(14-5-7-20-8-6-14)9-10-24(13)19(26)15-3-2-4-16-18(15)22-17(12-25)21-16/h2-8,13,25H,9-12H2,1H3,(H,21,22)
InChIKeySDJNMZRBNAENTJ-UHFFFAOYSA-N
XLogP1.80
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-1H-imidazo[4,5-b]pyridin-7-yl)-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone
CID 166256791
(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone
CID 154833724
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 70736458
N-[[4-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1H-benzimidazol-2-yl]methyl]benzenesulfonamide
CID 123778350
(2-ethyl-4-phenylpiperazin-1-yl)-isoquinolin-8-ylmethanone
CID 166239852
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70772439
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701031
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
[2-(pyridin-4-ylmethyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71231943
3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
CID 110741146
2H-benzotriazol-4-yl-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 100650537

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone (CID 167890769) is [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone is CC1CN(c2ccncc2)CCN1C(=O)c1cccc2[nH]c(CO)nc12.
What is the InChIKey of [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is SDJNMZRBNAENTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-11-23(14-5-7-20-8-6-14)9-10-24(13)19(26)15-3-2-4-16-18(15)22-17(12-25)21-16/h2-8,13,25H,9-12H2,1H3,(H,21,22).
What are the key properties of [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone?
[2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1H-benzimidazol-4-yl]-(2-methyl-4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 167890769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).