1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea

C17H20N8O2 — CID 125172198

IUPAC1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
SMILESCOc1cc(NC(=O)N[C@H](c2nccn2C)C2CC2)cc(-n2cnnn2)c1
InChIInChI=1S/C17H20N8O2/c1-24-6-5-18-16(24)15(11-3-4-11)21-17(26)20-12-7-13(9-14(8-12)27-2)25-10-19-22-23-25/h5-11,15H,3-4H2,1-2H3,(H2,20,21,26)/t15-/m0/s1
InChIKeyYDQNMQJKGXUANT-HNNXBMFYSA-N
MW368.40 g/mol
LogP1.68
Rot. Bonds6

About 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea

1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea (PubChem CID 125172198) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
PubChem CID125172198
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
SMILESCOc1cc(NC(=O)N[C@H](c2nccn2C)C2CC2)cc(-n2cnnn2)c1
InChIInChI=1S/C17H20N8O2/c1-24-6-5-18-16(24)15(11-3-4-11)21-17(26)20-12-7-13(9-14(8-12)27-2)25-10-19-22-23-25/h5-11,15H,3-4H2,1-2H3,(H2,20,21,26)/t15-/m0/s1
InChIKeyYDQNMQJKGXUANT-HNNXBMFYSA-N
XLogP1.68
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
CID 118793287
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 42924364
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
CID 74247300
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
CID 72934817
3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131924947
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
CID 154912324
1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 72918036
1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea (CID 125172198) is 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea is COc1cc(NC(=O)N[C@H](c2nccn2C)C2CC2)cc(-n2cnnn2)c1.
What is the InChIKey of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea?
The InChIKey is YDQNMQJKGXUANT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-24-6-5-18-16(24)15(11-3-4-11)21-17(26)20-12-7-13(9-14(8-12)27-2)25-10-19-22-23-25/h5-11,15H,3-4H2,1-2H3,(H2,20,21,26)/t15-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea?
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea has a molecular weight of 368.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 125172198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).