4-chloro-2-pyrimidin-5-yl-1H-benzimidazole

C11H7ClN4 — CID 102922109

IUPAC4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
SMILESClc1cccc2[nH]c(-c3cncnc3)nc12
InChIInChI=1S/C11H7ClN4/c12-8-2-1-3-9-10(8)16-11(15-9)7-4-13-6-14-5-7/h1-6H,(H,15,16)
InChIKeyMPOFOPLLFRKPRU-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.67
Rot. Bonds1

About 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole

4-chloro-2-pyrimidin-5-yl-1H-benzimidazole (PubChem CID 102922109) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
PubChem CID102922109
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
SMILESClc1cccc2[nH]c(-c3cncnc3)nc12
InChIInChI=1S/C11H7ClN4/c12-8-2-1-3-9-10(8)16-11(15-9)7-4-13-6-14-5-7/h1-6H,(H,15,16)
InChIKeyMPOFOPLLFRKPRU-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63851002
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 60978144
4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60978264
4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903772
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
2-(3,5-dichlorophenyl)-1H-benzimidazol-4-amine
CID 63694405
2-(4-chloro-1H-benzimidazol-2-yl)-4,5-dimethoxyaniline
CID 60786590
4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
CID 114271455

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole?
The IUPAC name of 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole (CID 102922109) is 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole is Clc1cccc2[nH]c(-c3cncnc3)nc12.
What is the InChIKey of 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole?
The InChIKey is MPOFOPLLFRKPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-8-2-1-3-9-10(8)16-11(15-9)7-4-13-6-14-5-7/h1-6H,(H,15,16).
What are the key properties of 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole?
4-chloro-2-pyrimidin-5-yl-1H-benzimidazole has a molecular weight of 230.66 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrimidin-5-yl-1H-benzimidazole is sourced from PubChem (CID 102922109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).