benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate

C19H20N4O3 — CID 2065366

IUPACbenzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-18(12-21-19(25)26-13-14-6-2-1-3-7-14)20-11-10-17-22-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyMUXVIWWJVPPZDU-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.15
Rot. Bonds7

About benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate

benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 2065366) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate
PubChem CID2065366
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namebenzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-18(12-21-19(25)26-13-14-6-2-1-3-7-14)20-11-10-17-22-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyMUXVIWWJVPPZDU-UHFFFAOYSA-N
XLogP2.15
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
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1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 43229184
benzyl N-[2-[6-(acridine-9-carbonylamino)hexylamino]-2-oxoethyl]carbamate
CID 10720544
benzyl N-[3-(6-bromo-1H-benzimidazol-2-yl)propyl]carbamate
CID 142734525
benzyl (2R)-3-(1H-benzimidazol-2-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10670243
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate (CID 2065366) is benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is MUXVIWWJVPPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(12-21-19(25)26-13-14-6-2-1-3-7-14)20-11-10-17-22-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate?
benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 2065366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).