1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C18H25N5O2 — CID 75518109

IUPAC1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCOc1ccccc1C1(CNC(=O)NC(C)c2ncn[nH]2)CCCC1
InChIInChI=1S/C18H25N5O2/c1-13(16-20-12-21-23-16)22-17(24)19-11-18(9-5-6-10-18)14-7-3-4-8-15(14)25-2/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H2,19,22,24)(H,20,21,23)
InChIKeyIYWBEMHWTBZWOZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.69
Rot. Bonds6

About 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 75518109) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID75518109
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCOc1ccccc1C1(CNC(=O)NC(C)c2ncn[nH]2)CCCC1
InChIInChI=1S/C18H25N5O2/c1-13(16-20-12-21-23-16)22-17(24)19-11-18(9-5-6-10-18)14-7-3-4-8-15(14)25-2/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H2,19,22,24)(H,20,21,23)
InChIKeyIYWBEMHWTBZWOZ-UHFFFAOYSA-N
XLogP2.69
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158674
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
CID 60612373
2-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylpentanamide
CID 119747072
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106283407
1-[1-(3,4-difluorophenyl)ethyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 60612250
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 60612371
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106283274
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 52735058
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 75518109) is 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is COc1ccccc1C1(CNC(=O)NC(C)c2ncn[nH]2)CCCC1.
What is the InChIKey of 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is IYWBEMHWTBZWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(16-20-12-21-23-16)22-17(24)19-11-18(9-5-6-10-18)14-7-3-4-8-15(14)25-2/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H2,19,22,24)(H,20,21,23).
What are the key properties of 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 75518109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).