1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one

C19H21N7O — CID 22098590

IUPAC1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one
SMILESNCc1ccc(N2CCN(c3ccc(CCc4nn[nH]n4)cc3)C2=O)cc1
InChIInChI=1S/C19H21N7O/c20-13-15-3-8-17(9-4-15)26-12-11-25(19(26)27)16-6-1-14(2-7-16)5-10-18-21-23-24-22-18/h1-4,6-9H,5,10-13,20H2,(H,21,22,23,24)
InChIKeyUGHQIUXYKYLWLS-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.89
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one

1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one (PubChem CID 22098590) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one
PubChem CID22098590
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one
SMILESNCc1ccc(N2CCN(c3ccc(CCc4nn[nH]n4)cc3)C2=O)cc1
InChIInChI=1S/C19H21N7O/c20-13-15-3-8-17(9-4-15)26-12-11-25(19(26)27)16-6-1-14(2-7-16)5-10-18-21-23-24-22-18/h1-4,6-9H,5,10-13,20H2,(H,21,22,23,24)
InChIKeyUGHQIUXYKYLWLS-UHFFFAOYSA-N
XLogP1.89
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(4-methylphenyl)imidazolidin-2-one
CID 145966837
1,3-Bis[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea
CID 169041678
1-(2-phenylethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]urea
CID 118723280
1-methyl-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
CID 132326174
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
CID 59862591
1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 90462695
1-[2-[bis(2-methylpropyl)amino]-5-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-3-(2,4-difluorophenyl)urea
CID 130331023
1-[2-[bis(2-methylpropyl)amino]-3-fluoro-5-(2H-tetrazol-5-ylmethyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 130331068
1-(4-fluoro-2-methylphenyl)-3-[2-[methyl(2-methylpropyl)amino]-5-[1-(2H-tetrazol-5-yl)ethyl]phenyl]urea
CID 130331326
2-(2-fluoroanilino)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 140389198
1-[6-[bis(2-methylpropyl)amino]-2-fluoro-3-[2-(2H-tetrazol-5-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-(4-methylphenyl)urea
CID 163604483
1,3-Bis[[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]urea
CID 169041774

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one (CID 22098590) is 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one is NCc1ccc(N2CCN(c3ccc(CCc4nn[nH]n4)cc3)C2=O)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one?
The InChIKey is UGHQIUXYKYLWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c20-13-15-3-8-17(9-4-15)26-12-11-25(19(26)27)16-6-1-14(2-7-16)5-10-18-21-23-24-22-18/h1-4,6-9H,5,10-13,20H2,(H,21,22,23,24).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one?
1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one has a molecular weight of 363.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 22098590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).