3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide

C19H21ClN4O2 — CID 135105045

IUPAC3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C19H21ClN4O2/c20-15-3-1-14(2-4-15)17-7-5-16(23-17)6-8-19(26)24(11-12-25)13-18-21-9-10-22-18/h1-5,7,9-10,23,25H,6,8,11-13H2,(H,21,22)
InChIKeyQSHPJRJZAAMNJF-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.01
Rot. Bonds8

About 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide

3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide (PubChem CID 135105045) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
PubChem CID135105045
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C19H21ClN4O2/c20-15-3-1-14(2-4-15)17-7-5-16(23-17)6-8-19(26)24(11-12-25)13-18-21-9-10-22-18/h1-5,7,9-10,23,25H,6,8,11-13H2,(H,21,22)
InChIKeyQSHPJRJZAAMNJF-UHFFFAOYSA-N
XLogP3.01
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide
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(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(methylamino)propanamide
CID 137344532
1-(3-chlorobenzoyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide
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N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 135117198
(2S,3S)-2-amino-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methylpentanamide;dihydrochloride
CID 154918160
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide
CID 135112882
3-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
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2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
(2S)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methyl-2-(methylamino)pentanamide
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N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)spiro[2.3]hexane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide (CID 135105045) is 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide is O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
The InChIKey is QSHPJRJZAAMNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-15-3-1-14(2-4-15)17-7-5-16(23-17)6-8-19(26)24(11-12-25)13-18-21-9-10-22-18/h1-5,7,9-10,23,25H,6,8,11-13H2,(H,21,22).
What are the key properties of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide?
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide has a molecular weight of 372.86 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 135105045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).