2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole

C7H6ClN3 — CID 116884407

IUPAC2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole
SMILESClc1ncc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C7H6ClN3/c8-7-10-4-6(11-7)5-1-2-9-3-5/h1-4,9H,(H,10,11)
InChIKeyHJLSAGIERPWQAQ-UHFFFAOYSA-N
MW167.60 g/mol
LogP2.06
Rot. Bonds1

About 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole

2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole (PubChem CID 116884407) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole
PubChem CID116884407
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole
SMILESClc1ncc(-c2cc[nH]c2)[nH]1
InChIInChI=1S/C7H6ClN3/c8-7-10-4-6(11-7)5-1-2-9-3-5/h1-4,9H,(H,10,11)
InChIKeyHJLSAGIERPWQAQ-UHFFFAOYSA-N
XLogP2.06
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(chloromethyl)-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 116878077
2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 142780374
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
4-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]aniline
CID 116877775
5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole
CID 150558660
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882188
methyl 5-(1H-pyrrol-3-yl)-1H-imidazole-2-carboxylate
CID 116880364
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
1-methyl-2-[[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116881246
methyl 2-methyl-2-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]propanoate
CID 116880480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole?
The IUPAC name of 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole (CID 116884407) is 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole.
What is the SMILES notation for 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole?
The canonical SMILES for 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole is Clc1ncc(-c2cc[nH]c2)[nH]1.
What is the InChIKey of 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole?
The InChIKey is HJLSAGIERPWQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-7-10-4-6(11-7)5-1-2-9-3-5/h1-4,9H,(H,10,11).
What are the key properties of 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole?
2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole has a molecular weight of 167.60 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole is sourced from PubChem (CID 116884407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).