1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone

C19H20ClN5O2 — CID 67971928

IUPAC1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
SMILESCn1c(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN5O2/c1-23-16-5-3-2-4-15(16)22-19(23)13-10-17(21-11-14(13)20)24-6-8-25(9-7-24)18(27)12-26/h2-5,10-11,26H,6-9,12H2,1H3
InChIKeyNARXWNRRNKVMQZ-UHFFFAOYSA-N
MW385.86 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone

1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone (PubChem CID 67971928) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
PubChem CID67971928
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
SMILESCn1c(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN5O2/c1-23-16-5-3-2-4-15(16)22-19(23)13-10-17(21-11-14(13)20)24-6-8-25(9-7-24)18(27)12-26/h2-5,10-11,26H,6-9,12H2,1H3
InChIKeyNARXWNRRNKVMQZ-UHFFFAOYSA-N
XLogP1.93
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone (CID 67971928) is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone is Cn1c(-c2cc(N3CCN(C(=O)CO)CC3)ncc2Cl)nc2ccccc21.
What is the InChIKey of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is NARXWNRRNKVMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-23-16-5-3-2-4-15(16)22-19(23)13-10-17(21-11-14(13)20)24-6-8-25(9-7-24)18(27)12-26/h2-5,10-11,26H,6-9,12H2,1H3.
What are the key properties of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone?
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 385.86 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 67971928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).