1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

C17H17N5O — CID 59636202

IUPAC1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2ccc3c(c2)ncn3C)C1=O
InChIInChI=1S/C17H17N5O/c1-12-5-6-18-10-16(12)22-8-7-21(17(22)23)13-3-4-15-14(9-13)19-11-20(15)2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKPVKYJOQBPUTJI-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.72
Rot. Bonds2

About 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 59636202) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
PubChem CID59636202
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2ccc3c(c2)ncn3C)C1=O
InChIInChI=1S/C17H17N5O/c1-12-5-6-18-10-16(12)22-8-7-21(17(22)23)13-3-4-15-14(9-13)19-11-20(15)2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyKPVKYJOQBPUTJI-UHFFFAOYSA-N
XLogP2.72
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (CID 59636202) is 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is Cc1ccncc1N1CCN(c2ccc3c(c2)ncn3C)C1=O.
What is the InChIKey of 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is KPVKYJOQBPUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-5-6-18-10-16(12)22-8-7-21(17(22)23)13-3-4-15-14(9-13)19-11-20(15)2/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 307.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 59636202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).