CID 88901306

C10H17BN4O2 — CID 88901306

IUPAC—
SMILES[B]OC(CCCCNC(=O)n1ccnc1)NC
InChIInChI=1S/C10H17BN4O2/c1-12-9(17-11)4-2-3-5-14-10(16)15-7-6-13-8-15/h6-9,12H,2-5H2,1H3,(H,14,16)
InChIKeyKPIVPIPXHFSSQH-UHFFFAOYSA-N
MW236.08 g/mol
LogP0.26
Rot. Bonds7

About CID 88901306

CID 88901306 (PubChem CID 88901306) has the molecular formula C10H17BN4O2 and a molecular weight of 236.08 g/mol.

Molecular Properties

Compound NameCID 88901306
PubChem CID88901306
Molecular FormulaC10H17BN4O2
Molecular Weight236.08 g/mol
Exact Mass236.14
IUPAC Name—
SMILES[B]OC(CCCCNC(=O)n1ccnc1)NC
InChIInChI=1S/C10H17BN4O2/c1-12-9(17-11)4-2-3-5-14-10(16)15-7-6-13-8-15/h6-9,12H,2-5H2,1H3,(H,14,16)
InChIKeyKPIVPIPXHFSSQH-UHFFFAOYSA-N
XLogP0.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
CID 106037947
N-octadec-9-enylimidazole-1-carboxamide
CID 54037396
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
tert-butyl (2S)-5-(imidazole-1-carbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10571966
N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
CID 43546302
2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
CID 67424696
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
N-(2,2-diethoxyethyl)imidazole-1-carboxamide
CID 81269425
N-ethoxyimidazole-1-carboxamide
CID 71385822
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
CID 63295768

Frequently Asked Questions

What is the IUPAC name of CID 88901306?
The IUPAC name of CID 88901306 (CID 88901306) is not available.
What is the SMILES notation for CID 88901306?
The canonical SMILES for CID 88901306 is [B]OC(CCCCNC(=O)n1ccnc1)NC.
What is the InChIKey of CID 88901306?
The InChIKey is KPIVPIPXHFSSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN4O2/c1-12-9(17-11)4-2-3-5-14-10(16)15-7-6-13-8-15/h6-9,12H,2-5H2,1H3,(H,14,16).
What are the key properties of CID 88901306?
CID 88901306 has a molecular weight of 236.08 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88901306 is sourced from PubChem (CID 88901306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).