5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one

C16H25N3O — CID 62679554

IUPAC5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)CC
InChIInChI=1S/C16H25N3O/c1-5-9-17-14(16(3,4)6-2)11-7-8-12-13(10-11)19-15(20)18-12/h7-8,10,14,17H,5-6,9H2,1-4H3,(H2,18,19,20)
InChIKeyFTDZNTBNXGACOB-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.33
Rot. Bonds6

About 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one

5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62679554) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62679554
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)CC
InChIInChI=1S/C16H25N3O/c1-5-9-17-14(16(3,4)6-2)11-7-8-12-13(10-11)19-15(20)18-12/h7-8,10,14,17H,5-6,9H2,1-4H3,(H2,18,19,20)
InChIKeyFTDZNTBNXGACOB-UHFFFAOYSA-N
XLogP3.33
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
2,2-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115855059
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496013
6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
1-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503843

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one (CID 62679554) is 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one is CCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)CC.
What is the InChIKey of 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FTDZNTBNXGACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-9-17-14(16(3,4)6-2)11-7-8-12-13(10-11)19-15(20)18-12/h7-8,10,14,17H,5-6,9H2,1-4H3,(H2,18,19,20).
What are the key properties of 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one?
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 275.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62679554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).