CID 101039162

C11H14N3O — CID 101039162

IUPAC—
SMILESCC(C)(C)N([O])c1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N3O/c1-11(2,3)14(15)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)
InChIKeyHLAOXBPQHJXKEB-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.51
Rot. Bonds1

About CID 101039162

CID 101039162 (PubChem CID 101039162) has the molecular formula C11H14N3O and a molecular weight of 204.25 g/mol.

Molecular Properties

Compound NameCID 101039162
PubChem CID101039162
Molecular FormulaC11H14N3O
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name—
SMILESCC(C)(C)N([O])c1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N3O/c1-11(2,3)14(15)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)
InChIKeyHLAOXBPQHJXKEB-UHFFFAOYSA-N
XLogP2.51
TPSA51.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1H-benzimidazol-2-amine
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N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
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2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
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methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
CID 69230726
N-(2-cyclopentylethyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143924
1-(1H-benzimidazol-2-yl)-1-sulfanylurea
CID 87929261
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
methyl N-(1H-benzimidazol-2-yl)-N-nitrosocarbamate
CID 24834823
2-methyl-1H-benzimidazole
CID 11984
N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
CID 133409792
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
CID 63392162

Frequently Asked Questions

What is the IUPAC name of CID 101039162?
The IUPAC name of CID 101039162 (CID 101039162) is not available.
What is the SMILES notation for CID 101039162?
The canonical SMILES for CID 101039162 is CC(C)(C)N([O])c1nc2ccccc2[nH]1.
What is the InChIKey of CID 101039162?
The InChIKey is HLAOXBPQHJXKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3O/c1-11(2,3)14(15)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13).
What are the key properties of CID 101039162?
CID 101039162 has a molecular weight of 204.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101039162 is sourced from PubChem (CID 101039162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).