4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide

C11H13ClN4O — CID 47187642

IUPAC4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H13ClN4O/c1-8(6-16-3-2-13-7-16)15-11(17)10-4-9(12)5-14-10/h2-5,7-8,14H,6H2,1H3,(H,15,17)
InChIKeyRHMVRHSDGMAGAL-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.68
Rot. Bonds4

About 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 47187642) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID47187642
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H13ClN4O/c1-8(6-16-3-2-13-7-16)15-11(17)10-4-9(12)5-14-10/h2-5,7-8,14H,6H2,1H3,(H,15,17)
InChIKeyRHMVRHSDGMAGAL-UHFFFAOYSA-N
XLogP1.68
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
6-amino-N-(1-imidazol-1-ylpropan-2-yl)pyridazine-3-carboxamide
CID 62185317
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159872
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62178273
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide (CID 47187642) is 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide is CC(Cn1ccnc1)NC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is RHMVRHSDGMAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-8(6-16-3-2-13-7-16)15-11(17)10-4-9(12)5-14-10/h2-5,7-8,14H,6H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 252.71 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47187642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).