2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole

C14H21N5 — CID 70717171

IUPAC2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2C2CCNC2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-3-4-13-17-10-12(18-13)14-16-7-8-19(14)11-5-6-15-9-11/h7-8,10-11,15H,2-6,9H2,1H3,(H,17,18)
InChIKeyHIDBAWZPFULARE-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.15
Rot. Bonds5

About 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole

2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole (PubChem CID 70717171) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole
PubChem CID70717171
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2C2CCNC2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-3-4-13-17-10-12(18-13)14-16-7-8-19(14)11-5-6-15-9-11/h7-8,10-11,15H,2-6,9H2,1H3,(H,17,18)
InChIKeyHIDBAWZPFULARE-UHFFFAOYSA-N
XLogP2.15
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
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
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
2-(1H-imidazol-5-yl)-1H-imidazole-5-carbonitrile
CID 44339902
[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methanamine
CID 44339734
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-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]pyrrolidin-2-one
CID 56871323
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
1-[(1-cyclopentylpiperidin-4-yl)methyl]-2'-ethyl-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56878441
N-methyl-N-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]methanesulfonamide
CID 70754226

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole?
The IUPAC name of 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole (CID 70717171) is 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole.
What is the SMILES notation for 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole?
The canonical SMILES for 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole is CCCCc1ncc(-c2nccn2C2CCNC2)[nH]1.
What is the InChIKey of 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole?
The InChIKey is HIDBAWZPFULARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-3-4-13-17-10-12(18-13)14-16-7-8-19(14)11-5-6-15-9-11/h7-8,10-11,15H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole?
2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole has a molecular weight of 259.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(1-pyrrolidin-3-ylimidazol-2-yl)-1H-imidazole is sourced from PubChem (CID 70717171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).