1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea

C24H20N4O — CID 122447737

IUPAC1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea
SMILESCc1cnc(-c2cccc(NC(=O)NC3c4ccccc4-c4ccccc43)c2)[nH]1
InChIInChI=1S/C24H20N4O/c1-15-14-25-23(26-15)16-7-6-8-17(13-16)27-24(29)28-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-14,22H,1H3,(H,25,26)(H2,27,28,29)
InChIKeyNBQIRLZPVZIQKR-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.28
Rot. Bonds3

About 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea

1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea (PubChem CID 122447737) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea
PubChem CID122447737
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea
SMILESCc1cnc(-c2cccc(NC(=O)NC3c4ccccc4-c4ccccc43)c2)[nH]1
InChIInChI=1S/C24H20N4O/c1-15-14-25-23(26-15)16-7-6-8-17(13-16)27-24(29)28-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-14,22H,1H3,(H,25,26)(H2,27,28,29)
InChIKeyNBQIRLZPVZIQKR-UHFFFAOYSA-N
XLogP5.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[5-(2-aminoethyl)-1H-imidazol-2-yl]phenyl]acetamide
CID 84760541
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CID 71847061
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea
CID 135329900
[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate
CID 70688362
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
CID 150557404
1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 167790037
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
5-methyl-N-phenyl-1H-imidazole-2-carboxamide
CID 126500296
1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-(3-methylphenyl)urea
CID 66981599
3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
CID 178075305
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
4-(5-methyl-1H-imidazol-2-yl)benzoic acid
CID 57290207

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea?
The IUPAC name of 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea (CID 122447737) is 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea is Cc1cnc(-c2cccc(NC(=O)NC3c4ccccc4-c4ccccc43)c2)[nH]1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea?
The InChIKey is NBQIRLZPVZIQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-14-25-23(26-15)16-7-6-8-17(13-16)27-24(29)28-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-14,22H,1H3,(H,25,26)(H2,27,28,29).
What are the key properties of 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea?
1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea has a molecular weight of 380.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-3-[3-(5-methyl-1H-imidazol-2-yl)phenyl]urea is sourced from PubChem (CID 122447737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).