1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea

C17H20N8O — CID 118793287

IUPAC1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCc1nnnn1-c1ccc(NC(=O)NC(c2nccn2C)C2CC2)cc1
InChIInChI=1S/C17H20N8O/c1-11-21-22-23-25(11)14-7-5-13(6-8-14)19-17(26)20-15(12-3-4-12)16-18-9-10-24(16)2/h5-10,12,15H,3-4H2,1-2H3,(H2,19,20,26)
InChIKeyONUPKXXGTQVJDU-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.98
Rot. Bonds5

About 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea

1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea (PubChem CID 118793287) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
PubChem CID118793287
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCc1nnnn1-c1ccc(NC(=O)NC(c2nccn2C)C2CC2)cc1
InChIInChI=1S/C17H20N8O/c1-11-21-22-23-25(11)14-7-5-13(6-8-14)19-17(26)20-15(12-3-4-12)16-18-9-10-24(16)2/h5-10,12,15H,3-4H2,1-2H3,(H2,19,20,26)
InChIKeyONUPKXXGTQVJDU-UHFFFAOYSA-N
XLogP1.98
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 125172198
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
CID 72934817
1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 97282292
1-[4-(5-methyltetrazol-1-yl)phenyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 125161705
1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 125159632
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea (CID 118793287) is 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea is Cc1nnnn1-c1ccc(NC(=O)NC(c2nccn2C)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea?
The InChIKey is ONUPKXXGTQVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-11-21-22-23-25(11)14-7-5-13(6-8-14)19-17(26)20-15(12-3-4-12)16-18-9-10-24(16)2/h5-10,12,15H,3-4H2,1-2H3,(H2,19,20,26).
What are the key properties of 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea?
1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea has a molecular weight of 352.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 118793287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).