4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline

C20H18ClN5 — CID 24606917

IUPAC4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
SMILESClc1ccc2c(N3CCCC(c4nc5ccccc5[nH]4)C3)ncnc2c1
InChIInChI=1S/C20H18ClN5/c21-14-7-8-15-18(10-14)22-12-23-20(15)26-9-3-4-13(11-26)19-24-16-5-1-2-6-17(16)25-19/h1-2,5-8,10,12-13H,3-4,9,11H2,(H,24,25)
InChIKeyHSPZSRNCIUWNPX-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.54
Rot. Bonds2

About 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline

4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline (PubChem CID 24606917) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
PubChem CID24606917
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
SMILESClc1ccc2c(N3CCCC(c4nc5ccccc5[nH]4)C3)ncnc2c1
InChIInChI=1S/C20H18ClN5/c21-14-7-8-15-18(10-14)22-12-23-20(15)26-9-3-4-13(11-26)19-24-16-5-1-2-6-17(16)25-19/h1-2,5-8,10,12-13H,3-4,9,11H2,(H,24,25)
InChIKeyHSPZSRNCIUWNPX-UHFFFAOYSA-N
XLogP4.54
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline (CID 24606917) is 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline is Clc1ccc2c(N3CCCC(c4nc5ccccc5[nH]4)C3)ncnc2c1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline?
The InChIKey is HSPZSRNCIUWNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c21-14-7-8-15-18(10-14)22-12-23-20(15)26-9-3-4-13(11-26)19-24-16-5-1-2-6-17(16)25-19/h1-2,5-8,10,12-13H,3-4,9,11H2,(H,24,25).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline?
4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline has a molecular weight of 363.85 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline is sourced from PubChem (CID 24606917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).