benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate

C17H17N3O2 — CID 16956051

IUPACbenzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-20(17(21)22-12-13-7-3-2-4-8-13)11-16-18-14-9-5-6-10-15(14)19-16/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyAGGDTVDTJQGYRA-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.33
Rot. Bonds4

About benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate

benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate (PubChem CID 16956051) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate
PubChem CID16956051
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namebenzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)OCc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-20(17(21)22-12-13-7-3-2-4-8-13)11-16-18-14-9-5-6-10-15(14)19-16/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyAGGDTVDTJQGYRA-UHFFFAOYSA-N
XLogP3.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4-{4-[3-(1H-Benzoimidazol-2-ylamino)-propylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-3-benzyloxycarbonylamino-butyric acid
CID 44291131
(R)-4-{4-[4-(1H-Benzoimidazol-2-ylamino)-piperidin-1-yl]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-3-benzyloxycarbonylamino-butyric acid
CID 44291564
(S)-3-{4-[4-(1H-Benzoimidazol-2-ylamino)-piperidin-1-yl]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-2-benzyloxycarbonylamino-propionic acid
CID 44292357
(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-acrylamide
CID 674471
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide
CID 4753703
3-(1,3-Dihydrobenzimidazol-2-ylidene)-1-ethylquinoline-2,4-dione
CID 135421575
3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2(1H)-one
CID 135441025
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 659969
benzyl N-allyl-N-[1-[4-(2-ethylbenzimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamate
CID 483341
Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate
CID 2328806
ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 3241539
benzyl 3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867983

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate?
The IUPAC name of benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate (CID 16956051) is benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate is CN(Cc1nc2ccccc2[nH]1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate?
The InChIKey is AGGDTVDTJQGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(17(21)22-12-13-7-3-2-4-8-13)11-16-18-14-9-5-6-10-15(14)19-16/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate?
benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate has a molecular weight of 295.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1H-benzimidazol-2-ylmethyl)-N-methylcarbamate is sourced from PubChem (CID 16956051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).