1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea

C16H18N4O2 — CID 74427200

IUPAC1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc2c(c1)C(=Cc1cnc[nH]1)CCO2
InChIInChI=1S/C16H18N4O2/c1-17-16(21)20(2)13-3-4-15-14(8-13)11(5-6-22-15)7-12-9-18-10-19-12/h3-4,7-10H,5-6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyBUFFIYRRPCYJCI-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.51
Rot. Bonds2

About 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea

1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea (PubChem CID 74427200) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea
PubChem CID74427200
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc2c(c1)C(=Cc1cnc[nH]1)CCO2
InChIInChI=1S/C16H18N4O2/c1-17-16(21)20(2)13-3-4-15-14(8-13)11(5-6-22-15)7-12-9-18-10-19-12/h3-4,7-10H,5-6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyBUFFIYRRPCYJCI-UHFFFAOYSA-N
XLogP2.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-2-methoxyacetamide
CID 74427165
methyl N-benzyl-N-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]carbamate
CID 59397353
4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole
CID 59435415
methyl N-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-N-[4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-6-(methoxycarbonylamino)-2,3-dihydrochromen-8-yl]butyl]carbamate
CID 143737506
methyl N-[(7E)-7-(1H-imidazol-5-ylmethylidene)-5,6-dihydrothieno[3,2-b]pyran-2-yl]carbamate
CID 25216414
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-1,3-dimethylurea
CID 23729197
CID 160772384
CID 160772384
5-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole
CID 6540038
bis(5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole);oxalic acid
CID 173124873
5-[(E)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;hydrochloride
CID 11232184
1-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydro-1H-quinolin-6-yl]butan-2-one
CID 58182972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea?
The IUPAC name of 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea (CID 74427200) is 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea.
What is the SMILES notation for 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea?
The canonical SMILES for 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea is CNC(=O)N(C)c1ccc2c(c1)C(=Cc1cnc[nH]1)CCO2.
What is the InChIKey of 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea?
The InChIKey is BUFFIYRRPCYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-17-16(21)20(2)13-3-4-15-14(8-13)11(5-6-22-15)7-12-9-18-10-19-12/h3-4,7-10H,5-6H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea?
1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea has a molecular weight of 298.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1,3-dimethylurea is sourced from PubChem (CID 74427200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).