4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide

C11H13ClN4O — CID 126450169

IUPAC4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cc(Cl)c[nH]2)[nH]1
InChIInChI=1S/C11H13ClN4O/c1-6-4-14-10(15-6)7(2)16-11(17)9-3-8(12)5-13-9/h3-5,7,13H,1-2H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyOCOBXBAGUYXQDX-SSDOTTSWSA-N
MW252.70 g/mol
LogP2.19
Rot. Bonds3

About 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 126450169) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID126450169
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cc(Cl)c[nH]2)[nH]1
InChIInChI=1S/C11H13ClN4O/c1-6-4-14-10(15-6)7(2)16-11(17)9-3-8(12)5-13-9/h3-5,7,13H,1-2H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyOCOBXBAGUYXQDX-SSDOTTSWSA-N
XLogP2.19
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126439244
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 39996078
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 130921065
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898
4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134012860
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312
6-amino-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 122572343
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 28741107
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 125444590
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
methyl 2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoate
CID 43422679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 126450169) is 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is Cc1cnc([C@@H](C)NC(=O)c2cc(Cl)c[nH]2)[nH]1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OCOBXBAGUYXQDX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6-4-14-10(15-6)7(2)16-11(17)9-3-8(12)5-13-9/h3-5,7,13H,1-2H3,(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126450169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).