1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea

C20H25N5O — CID 118250050

IUPAC1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea
SMILESCNC(=O)NCCCC[C@H](N)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C20H25N5O/c1-22-20(26)23-11-5-4-8-17(21)19-24-13-18(25-19)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12-13,17H,4-5,8,11,21H2,1H3,(H,24,25)(H2,22,23,26)/t17-/m0/s1
InChIKeyYOOIJQZLRLPWNI-KRWDZBQOSA-N
MW351.45 g/mol
LogP3.33
Rot. Bonds7

About 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea

1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea (PubChem CID 118250050) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea.

Molecular Properties

Compound Name1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea
PubChem CID118250050
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea
SMILESCNC(=O)NCCCC[C@H](N)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C20H25N5O/c1-22-20(26)23-11-5-4-8-17(21)19-24-13-18(25-19)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12-13,17H,4-5,8,11,21H2,1H3,(H,24,25)(H2,22,23,26)/t17-/m0/s1
InChIKeyYOOIJQZLRLPWNI-KRWDZBQOSA-N
XLogP3.33
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea;bis(2,2,2-trifluoroacetic acid)
CID 171932487
3-(2-ethyl-3H-benzimidazol-1-ium-1-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]propanamide
CID 87628659
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 16662618
N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 155169292
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-(propylcarbamoylamino)pentyl]acetamide
CID 16662551
N-[(1S)-5-(ethoxycarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 16662680
2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide
CID 155172384
N-[(1S)-5-[(2-methylsulfinylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 162657535
N-[(1S)-5-[(2-amino-3-methylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 164787838
N-[(1S)-5-[(2-hydroxy-5-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 162667559
3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231002
1-methyl-N-[8-(methylamino)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxooctyl]piperidine-4-carboxamide
CID 123619194

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea?
The IUPAC name of 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea (CID 118250050) is 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea.
What is the SMILES notation for 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea?
The canonical SMILES for 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea is CNC(=O)NCCCC[C@H](N)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea?
The InChIKey is YOOIJQZLRLPWNI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O/c1-22-20(26)23-11-5-4-8-17(21)19-24-13-18(25-19)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12-13,17H,4-5,8,11,21H2,1H3,(H,24,25)(H2,22,23,26)/t17-/m0/s1.
What are the key properties of 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea?
1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea has a molecular weight of 351.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea is sourced from PubChem (CID 118250050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).