1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea

C15H27N5O — CID 56747975

IUPAC1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea
SMILESCc1[nH]cnc1CN1CCC(CNC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H27N5O/c1-11-13(18-10-17-11)9-20-6-5-12(8-20)7-16-14(21)19-15(2,3)4/h10,12H,5-9H2,1-4H3,(H,17,18)(H2,16,19,21)
InChIKeySYTYBWZRLANURX-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.64
Rot. Bonds4

About 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea

1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea (PubChem CID 56747975) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea
PubChem CID56747975
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea
SMILESCc1[nH]cnc1CN1CCC(CNC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H27N5O/c1-11-13(18-10-17-11)9-20-6-5-12(8-20)7-16-14(21)19-15(2,3)4/h10,12H,5-9H2,1-4H3,(H,17,18)(H2,16,19,21)
InChIKeySYTYBWZRLANURX-UHFFFAOYSA-N
XLogP1.64
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

tert-butyl 1H,4H,5H,6H-pyrrolo(3,4-d)imidazole-5-carboxylate
CID 25324786
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
(2S,4R)-4-amino-N,N-diethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 56721956
N-[(1-isobutylpyrrolidin-3-yl)methyl]-4-methyl-1H-imidazole-5-carboxamide
CID 56722012
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1H-imidazole-5-carboxamide
CID 56870084
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95222401
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 55114498
N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 56712672
2,2,2-trifluoro-1-[4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 91837009
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea (CID 56747975) is 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea is Cc1[nH]cnc1CN1CCC(CNC(=O)NC(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The InChIKey is SYTYBWZRLANURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-13(18-10-17-11)9-20-6-5-12(8-20)7-16-14(21)19-15(2,3)4/h10,12H,5-9H2,1-4H3,(H,17,18)(H2,16,19,21).
What are the key properties of 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea has a molecular weight of 293.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 56747975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).