5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one

C16H23N3O — CID 107177387

IUPAC5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCC1C
InChIInChI=1S/C16H23N3O/c1-3-17-15(12-6-4-5-10(12)2)11-7-8-13-14(9-11)19-16(20)18-13/h7-10,12,15,17H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyLTULYGSDVRZDKJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.94
Rot. Bonds4

About 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 107177387) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID107177387
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCC1C
InChIInChI=1S/C16H23N3O/c1-3-17-15(12-6-4-5-10(12)2)11-7-8-13-14(9-11)19-16(20)18-13/h7-10,12,15,17H,3-6H2,1-2H3,(H2,18,19,20)
InChIKeyLTULYGSDVRZDKJ-UHFFFAOYSA-N
XLogP2.94
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490686
5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107177554
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61276462

Frequently Asked Questions

What is the IUPAC name of 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 107177387) is 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one is CCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCC1C.
What is the InChIKey of 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LTULYGSDVRZDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-17-15(12-6-4-5-10(12)2)11-7-8-13-14(9-11)19-16(20)18-13/h7-10,12,15,17H,3-6H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 107177387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).