1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea

C19H20N4O — CID 108886726

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea
SMILESNCc1cccc(CNC(=O)Nc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C19H20N4O/c20-13-15-4-3-5-16(12-15)14-21-19(24)22-17-6-8-18(9-7-17)23-10-1-2-11-23/h1-12H,13-14,20H2,(H2,21,22,24)
InChIKeyUHSIHCFTVLNYSG-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.26
Rot. Bonds5

About 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea

1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea (PubChem CID 108886726) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea
PubChem CID108886726
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea
SMILESNCc1cccc(CNC(=O)Nc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C19H20N4O/c20-13-15-4-3-5-16(12-15)14-21-19(24)22-17-6-8-18(9-7-17)23-10-1-2-11-23/h1-12H,13-14,20H2,(H2,21,22,24)
InChIKeyUHSIHCFTVLNYSG-UHFFFAOYSA-N
XLogP3.26
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 108886735
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea
CID 174614613
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
CID 108868945
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
1-[[3-(aminomethyl)phenyl]methyl]-3-tert-butylurea
CID 43589459
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1,3-bis[[3-(2-aminoethyl)phenyl]methyl]urea
CID 159960728

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea (CID 108886726) is 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea is NCc1cccc(CNC(=O)Nc2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea?
The InChIKey is UHSIHCFTVLNYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-13-15-4-3-5-16(12-15)14-21-19(24)22-17-6-8-18(9-7-17)23-10-1-2-11-23/h1-12H,13-14,20H2,(H2,21,22,24).
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea?
1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea has a molecular weight of 320.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 108886726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).