1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium

C10H11N3O3Y — CID 171659142

IUPAC1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium
SMILESO=C(NCO)OCc1nc2ccccc2[nH]1.[Y]
InChIInChI=1S/C10H11N3O3.Y/c14-6-11-10(15)16-5-9-12-7-3-1-2-4-8(7)13-9;/h1-4,14H,5-6H2,(H,11,15)(H,12,13);
InChIKeySFFRCJCMJNBWQR-UHFFFAOYSA-N
MW310.12 g/mol
LogP0.74
Rot. Bonds3

About 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium

1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium (PubChem CID 171659142) has the molecular formula C10H11N3O3Y and a molecular weight of 310.12 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium
PubChem CID171659142
Molecular FormulaC10H11N3O3Y
Molecular Weight310.12 g/mol
Exact Mass309.99
IUPAC Name1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium
SMILESO=C(NCO)OCc1nc2ccccc2[nH]1.[Y]
InChIInChI=1S/C10H11N3O3.Y/c14-6-11-10(15)16-5-9-12-7-3-1-2-4-8(7)13-9;/h1-4,14H,5-6H2,(H,11,15)(H,12,13);
InChIKeySFFRCJCMJNBWQR-UHFFFAOYSA-N
XLogP0.74
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-benzimidazol-2-ylmethyl N-(ethoxymethyl)carbamate
CID 171659147
1H-benzimidazol-2-ylmethyl propanoate
CID 20738516
1H-benzimidazol-2-ylmethyl 2-sulfanylacetate
CID 168757870
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate
CID 2065366
2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 113220506
benzyl N-[6-(1H-benzimidazol-2-ylmethylamino)hexyl]carbamate
CID 20577728
benzyl (2R)-3-(1H-benzimidazol-2-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10670243
4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
copper;1H-benzimidazol-2-ylmethanamine;2-(carboxymethylamino)acetic acid
CID 6394717
ethyl N-[3-(1H-benzimidazol-2-yl)propanoylamino]carbamate
CID 43042112

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium?
The IUPAC name of 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium (CID 171659142) is 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium.
What is the SMILES notation for 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium?
The canonical SMILES for 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium is O=C(NCO)OCc1nc2ccccc2[nH]1.[Y].
What is the InChIKey of 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium?
The InChIKey is SFFRCJCMJNBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3.Y/c14-6-11-10(15)16-5-9-12-7-3-1-2-4-8(7)13-9;/h1-4,14H,5-6H2,(H,11,15)(H,12,13);.
What are the key properties of 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium?
1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium has a molecular weight of 310.12 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium is sourced from PubChem (CID 171659142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).