5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H20N4O — CID 116906426

IUPAC5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)C(c1ccc2[nH]c(=O)[nH]c2c1)C1CCNC1
InChIInChI=1S/C14H20N4O/c1-18(2)13(10-5-6-15-8-10)9-3-4-11-12(7-9)17-14(19)16-11/h3-4,7,10,13,15H,5-6,8H2,1-2H3,(H2,16,17,19)
InChIKeyHZHSDWWXETYFNT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.07
Rot. Bonds3

About 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116906426) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116906426
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)C(c1ccc2[nH]c(=O)[nH]c2c1)C1CCNC1
InChIInChI=1S/C14H20N4O/c1-18(2)13(10-5-6-15-8-10)9-3-4-11-12(7-9)17-14(19)16-11/h3-4,7,10,13,15H,5-6,8H2,1-2H3,(H2,16,17,19)
InChIKeyHZHSDWWXETYFNT-UHFFFAOYSA-N
XLogP1.07
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
CID 116906440
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine
CID 116906430
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
CID 116906547
5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one
CID 116908844
2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 116675039
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 83153990
1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
CID 116906262
5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62977011

Frequently Asked Questions

What is the IUPAC name of 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 116906426) is 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is CN(C)C(c1ccc2[nH]c(=O)[nH]c2c1)C1CCNC1.
What is the InChIKey of 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HZHSDWWXETYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(2)13(10-5-6-15-8-10)9-3-4-11-12(7-9)17-14(19)16-11/h3-4,7,10,13,15H,5-6,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116906426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).