2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C10H10BrN3S — CID 117166985

IUPAC2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESBrc1ccc(-c2nc3c([nH]2)CNCC3)s1
InChIInChI=1S/C10H10BrN3S/c11-9-2-1-8(15-9)10-13-6-3-4-12-5-7(6)14-10/h1-2,12H,3-5H2,(H,13,14)
InChIKeyQWRDZXWPBSNKOW-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.55
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 117166985) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID117166985
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESBrc1ccc(-c2nc3c([nH]2)CNCC3)s1
InChIInChI=1S/C10H10BrN3S/c11-9-2-1-8(15-9)10-13-6-3-4-12-5-7(6)14-10/h1-2,12H,3-5H2,(H,13,14)
InChIKeyQWRDZXWPBSNKOW-UHFFFAOYSA-N
XLogP2.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 156786901
2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 156786860
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)pyrazole-1-carboxamide
CID 173158895
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 72917543
2-(5-bromothiophen-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742469
[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine
CID 103386678
2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 12037655
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
CID 137184532
2-iodo-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 155821583
2-(5-fluoro-2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154901265
2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 72919818
2-[4-(cyclopropylmethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154899949

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 117166985) is 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is Brc1ccc(-c2nc3c([nH]2)CNCC3)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is QWRDZXWPBSNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c11-9-2-1-8(15-9)10-13-6-3-4-12-5-7(6)14-10/h1-2,12H,3-5H2,(H,13,14).
What are the key properties of 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 284.18 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 117166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).