1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea

C21H28N4O — CID 155949510

IUPAC1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESO=C(NCC1CCc2nccn2C1)NC1CCCC1Cc1ccccc1
InChIInChI=1S/C21H28N4O/c26-21(23-14-17-9-10-20-22-11-12-25(20)15-17)24-19-8-4-7-18(19)13-16-5-2-1-3-6-16/h1-3,5-6,11-12,17-19H,4,7-10,13-15H2,(H2,23,24,26)
InChIKeyRBOLOLQKORXKLS-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea

1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (PubChem CID 155949510) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
PubChem CID155949510
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESO=C(NCC1CCc2nccn2C1)NC1CCCC1Cc1ccccc1
InChIInChI=1S/C21H28N4O/c26-21(23-14-17-9-10-20-22-11-12-25(20)15-17)24-19-8-4-7-18(19)13-16-5-2-1-3-6-16/h1-3,5-6,11-12,17-19H,4,7-10,13-15H2,(H2,23,24,26)
InChIKeyRBOLOLQKORXKLS-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122020581
1-pyridin-4-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995675
1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea
CID 129473644
1-[(1-methoxycyclobutyl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995732
1-[(1-methoxycyclobutyl)methyl]-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129474764
1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129477594
1-(6-methyl-3-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995677
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
CID 122002966
1-(2-ethoxyethyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128995723
N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 129329563
(2S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)oxolane-2-carboxamide
CID 128972669
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129472235

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
The IUPAC name of 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (CID 155949510) is 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.
What is the SMILES notation for 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
The canonical SMILES for 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is O=C(NCC1CCc2nccn2C1)NC1CCCC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
The InChIKey is RBOLOLQKORXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(23-14-17-9-10-20-22-11-12-25(20)15-17)24-19-8-4-7-18(19)13-16-5-2-1-3-6-16/h1-3,5-6,11-12,17-19H,4,7-10,13-15H2,(H2,23,24,26).
What are the key properties of 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?
1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea has a molecular weight of 352.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylcyclopentyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is sourced from PubChem (CID 155949510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).