4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide

C14H19BrN4O — CID 60955287

IUPAC4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C14H19BrN4O/c1-3-5-19-9-12(15)7-13(19)14(20)17-11(2)8-18-6-4-16-10-18/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,17,20)
InChIKeyPIIWQYHVVQTLLX-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.68
Rot. Bonds6

About 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 60955287) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID60955287
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C14H19BrN4O/c1-3-5-19-9-12(15)7-13(19)14(20)17-11(2)8-18-6-4-16-10-18/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,17,20)
InChIKeyPIIWQYHVVQTLLX-UHFFFAOYSA-N
XLogP2.68
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
4-bromo-N-(4-methylpent-1-yn-3-yl)-1-propylpyrrole-2-carboxamide
CID 114202530
4-bromo-N-(1-hydroxypentan-3-yl)-1-propylpyrrole-2-carboxamide
CID 113495836
4-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 61022215
4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
(2R)-4-amino-2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821533
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide (CID 60955287) is 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NC(C)Cn1ccnc1.
What is the InChIKey of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is PIIWQYHVVQTLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-3-5-19-9-12(15)7-13(19)14(20)17-11(2)8-18-6-4-16-10-18/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,17,20).
What are the key properties of 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 339.24 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60955287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).