1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea

C18H24N4O — CID 139018215

IUPAC1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
SMILESCn1cnc2cc(CNC(=O)NC3CC34CCCCC4)ccc21
InChIInChI=1S/C18H24N4O/c1-22-12-20-14-9-13(5-6-15(14)22)11-19-17(23)21-16-10-18(16)7-3-2-4-8-18/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3,(H2,19,21,23)
InChIKeyNQONTRSEGGRBFF-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.10
Rot. Bonds3

About 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea

1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea (PubChem CID 139018215) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea.

Molecular Properties

Compound Name1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
PubChem CID139018215
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
SMILESCn1cnc2cc(CNC(=O)NC3CC34CCCCC4)ccc21
InChIInChI=1S/C18H24N4O/c1-22-12-20-14-9-13(5-6-15(14)22)11-19-17(23)21-16-10-18(16)7-3-2-4-8-18/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3,(H2,19,21,23)
InChIKeyNQONTRSEGGRBFF-UHFFFAOYSA-N
XLogP3.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
1-benzyl-3-spiro[2.4]heptan-2-ylurea
CID 131137817
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 166313203
[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 115243491
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 167748960
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
CID 115145923

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea?
The IUPAC name of 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea (CID 139018215) is 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea.
What is the SMILES notation for 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea?
The canonical SMILES for 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea is Cn1cnc2cc(CNC(=O)NC3CC34CCCCC4)ccc21.
What is the InChIKey of 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea?
The InChIKey is NQONTRSEGGRBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-22-12-20-14-9-13(5-6-15(14)22)11-19-17(23)21-16-10-18(16)7-3-2-4-8-18/h5-6,9,12,16H,2-4,7-8,10-11H2,1H3,(H2,19,21,23).
What are the key properties of 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea?
1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea has a molecular weight of 312.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea is sourced from PubChem (CID 139018215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).