2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole

C17H27N5 — CID 56760216

IUPAC2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CCC2CCCN2C)[nH]1
InChIInChI=1S/C17H27N5/c1-3-4-7-16-19-13-15(20-16)17-18-9-12-22(17)11-8-14-6-5-10-21(14)2/h9,12-14H,3-8,10-11H2,1-2H3,(H,19,20)
InChIKeyDKFGJFUMTAXPKV-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.10
Rot. Bonds7

About 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole

2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole (PubChem CID 56760216) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole
PubChem CID56760216
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2CCC2CCCN2C)[nH]1
InChIInChI=1S/C17H27N5/c1-3-4-7-16-19-13-15(20-16)17-18-9-12-22(17)11-8-14-6-5-10-21(14)2/h9,12-14H,3-8,10-11H2,1-2H3,(H,19,20)
InChIKeyDKFGJFUMTAXPKV-UHFFFAOYSA-N
XLogP3.10
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(3,3-difluorocyclopentyl)-6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817325
MAT-POS-ea426761-49
CID 56864220
1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
1-[(1-cyclopentylpiperidin-4-yl)methyl]-2'-ethyl-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56878441
2'-butyl-1-pyrrolidin-3-yl-1H,1'H-2,4'-biimidazole
CID 70717171
N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yl-1H-1,2,3-triazol-4-yl)-1H-imidazol-1-yl]propan-1-amine
CID 70757231
5'-methyl-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 70787208
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 50984119
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971
2'-butyl-1-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-1H,1'H-2,4'-biimidazole
CID 70754992

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole (CID 56760216) is 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole is CCCCc1ncc(-c2nccn2CCC2CCCN2C)[nH]1.
What is the InChIKey of 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole?
The InChIKey is DKFGJFUMTAXPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-3-4-7-16-19-13-15(20-16)17-18-9-12-22(17)11-8-14-6-5-10-21(14)2/h9,12-14H,3-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole?
2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole has a molecular weight of 301.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 56760216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).