5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one

C14H22N4O — CID 115132846

IUPAC5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCC(C)(C)N(C)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-14(2,9-15-3)18(4)8-10-5-6-11-12(7-10)17-13(19)16-11/h5-7,15H,8-9H2,1-4H3,(H2,16,17,19)
InChIKeyCWASCIYHPUPNLE-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds5

About 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115132846) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115132846
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCC(C)(C)N(C)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H22N4O/c1-14(2,9-15-3)18(4)8-10-5-6-11-12(7-10)17-13(19)16-11/h5-7,15H,8-9H2,1-4H3,(H2,16,17,19)
InChIKeyCWASCIYHPUPNLE-UHFFFAOYSA-N
XLogP1.29
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1527023
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
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1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
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GNF-Pf-4385
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5-Methylbenzimidazolone
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3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
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N-(3-methylphenyl)pyrrolidine-1-carboxamide
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CID 11587610

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 115132846) is 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one is CNCC(C)(C)N(C)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CWASCIYHPUPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,9-15-3)18(4)8-10-5-6-11-12(7-10)17-13(19)16-11/h5-7,15H,8-9H2,1-4H3,(H2,16,17,19).
What are the key properties of 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[2-methyl-1-(methylamino)propan-2-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115132846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).