6-(2-chloropyrimidin-4-yl)-1H-benzimidazole

C11H7ClN4 — CID 116904383

IUPAC6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
SMILESClc1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C11H7ClN4/c12-11-13-4-3-8(16-11)7-1-2-9-10(5-7)15-6-14-9/h1-6H,(H,14,15)
InChIKeyQIRBAUGVSNQBNA-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.67
Rot. Bonds1

About 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole

6-(2-chloropyrimidin-4-yl)-1H-benzimidazole (PubChem CID 116904383) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
PubChem CID116904383
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
SMILESClc1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C11H7ClN4/c12-11-13-4-3-8(16-11)7-1-2-9-10(5-7)15-6-14-9/h1-6H,(H,14,15)
InChIKeyQIRBAUGVSNQBNA-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

6-[2-(2-chloroethyl)pyrimidin-4-yl]-1H-benzimidazole
CID 116899357
6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
CID 116897384
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
CID 88890559
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol
CID 116903079
6-(2-chloropyrimidin-4-yl)-1,3-benzothiazole
CID 134228541
4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 170970828
4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970601
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole?
The IUPAC name of 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole (CID 116904383) is 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole is Clc1nccc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole?
The InChIKey is QIRBAUGVSNQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-11-13-4-3-8(16-11)7-1-2-9-10(5-7)15-6-14-9/h1-6H,(H,14,15).
What are the key properties of 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole?
6-(2-chloropyrimidin-4-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 6-(2-chloropyrimidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 116904383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).