1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

C14H19N5O — CID 61481054

IUPAC1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H19N5O/c1-11(9-19-6-5-16-10-19)17-14(20)18-13-4-2-3-12(7-13)8-15/h2-7,10-11H,8-9,15H2,1H3,(H2,17,18,20)
InChIKeyVPGJICNDFNRKRU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (PubChem CID 61481054) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
PubChem CID61481054
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C14H19N5O/c1-11(9-19-6-5-16-10-19)17-14(20)18-13-4-2-3-12(7-13)8-15/h2-7,10-11H,8-9,15H2,1H3,(H2,17,18,20)
InChIKeyVPGJICNDFNRKRU-UHFFFAOYSA-N
XLogP1.55
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
1-[3-(aminomethyl)phenyl]-3-hexan-2-ylurea
CID 62200638
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95273993
1-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 118778636
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
CID 94166237
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (CID 61481054) is 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is CC(Cn1ccnc1)NC(=O)Nc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The InChIKey is VPGJICNDFNRKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(9-19-6-5-16-10-19)17-14(20)18-13-4-2-3-12(7-13)8-15/h2-7,10-11H,8-9,15H2,1H3,(H2,17,18,20).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea has a molecular weight of 273.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 61481054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).