2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol

C14H21N3O — CID 79096945

IUPAC2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol
SMILESCc1nccn1CCn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C14H21N3O/c1-11(2)14(18)13-4-6-16(10-13)8-9-17-7-5-15-12(17)3/h4-7,10-11,14,18H,8-9H2,1-3H3
InChIKeyMRHIEYXGUNEKIG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds5

About 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79096945) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol
PubChem CID79096945
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol
SMILESCc1nccn1CCn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C14H21N3O/c1-11(2)14(18)13-4-6-16(10-13)8-9-17-7-5-15-12(17)3/h4-7,10-11,14,18H,8-9H2,1-3H3
InChIKeyMRHIEYXGUNEKIG-UHFFFAOYSA-N
XLogP2.38
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol
CID 83158832
2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79097183
2-methyl-1-[1-(2-pyrrolidin-1-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79096939
2-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-ol
CID 79098041
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097685
2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
CID 79097185
methyl 3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]propanoate
CID 79097942
3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79097273
2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097679
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol (CID 79096945) is 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol is Cc1nccn1CCn1ccc(C(O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is MRHIEYXGUNEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)14(18)13-4-6-16(10-13)8-9-17-7-5-15-12(17)3/h4-7,10-11,14,18H,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79096945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).