5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C15H17N3OS — CID 43496016

IUPAC5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1
InChIInChI=1S/C15H17N3OS/c1-2-7-16-14(13-4-3-8-20-13)10-5-6-11-12(9-10)18-15(19)17-11/h3-6,8-9,14,16H,2,7H2,1H3,(H2,17,18,19)
InChIKeyHBEXYDNWVRDJRV-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.01
Rot. Bonds5

About 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43496016) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43496016
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1
InChIInChI=1S/C15H17N3OS/c1-2-7-16-14(13-4-3-8-20-13)10-5-6-11-12(9-10)18-15(19)17-11/h3-6,8-9,14,16H,2,7H2,1H3,(H2,17,18,19)
InChIKeyHBEXYDNWVRDJRV-UHFFFAOYSA-N
XLogP3.01
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496013
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
1-methyl-5-[propylamino(thiophen-2-yl)methyl]-3H-indol-2-one
CID 43496797
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
N-[1H-pyrazol-4-yl(thiophen-2-yl)methyl]propan-1-amine
CID 114988808
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492554
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890

Frequently Asked Questions

What is the IUPAC name of 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43496016) is 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is CCCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccs1.
What is the InChIKey of 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HBEXYDNWVRDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-7-16-14(13-4-3-8-20-13)10-5-6-11-12(9-10)18-15(19)17-11/h3-6,8-9,14,16H,2,7H2,1H3,(H2,17,18,19).
What are the key properties of 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43496016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).