3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea

C23H24N6O2 — CID 78874801

IUPAC3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C23H24N6O2/c1-3-20-19(18-6-4-5-7-21(18)31-20)14-28(2)23(30)24-16-10-8-15(9-11-16)22-25-26-27-29(22)17-12-13-17/h4-11,17H,3,12-14H2,1-2H3,(H,24,30)
InChIKeyILGDWWHYUQKMAH-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.65
Rot. Bonds6

About 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea

3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea (PubChem CID 78874801) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
PubChem CID78874801
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C23H24N6O2/c1-3-20-19(18-6-4-5-7-21(18)31-20)14-28(2)23(30)24-16-10-8-15(9-11-16)22-25-26-27-29(22)17-12-13-17/h4-11,17H,3,12-14H2,1-2H3,(H,24,30)
InChIKeyILGDWWHYUQKMAH-UHFFFAOYSA-N
XLogP4.65
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea with MolForge

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Related Compounds

3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856076
3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 86986903
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 78874537
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873492
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112825840
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 78893656
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The IUPAC name of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea (CID 78874801) is 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea is CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The InChIKey is ILGDWWHYUQKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-3-20-19(18-6-4-5-7-21(18)31-20)14-28(2)23(30)24-16-10-8-15(9-11-16)22-25-26-27-29(22)17-12-13-17/h4-11,17H,3,12-14H2,1-2H3,(H,24,30).
What are the key properties of 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea has a molecular weight of 416.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea is sourced from PubChem (CID 78874801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).