5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one

C16H24N4O — CID 65072952

IUPAC5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCCCN1CCCC(Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C16H24N4O/c1-2-8-20-9-3-4-12(7-10-20)17-13-5-6-14-15(11-13)19-16(21)18-14/h5-6,11-12,17H,2-4,7-10H2,1H3,(H2,18,19,21)
InChIKeySOVFVORVRCOHGY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.53
Rot. Bonds4

About 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one

5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 65072952) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID65072952
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCCCN1CCCC(Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C16H24N4O/c1-2-8-20-9-3-4-12(7-10-20)17-13-5-6-14-15(11-13)19-16(21)18-14/h5-6,11-12,17H,2-4,7-10H2,1H3,(H2,18,19,21)
InChIKeySOVFVORVRCOHGY-UHFFFAOYSA-N
XLogP2.53
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-1-propylazepan-4-amine
CID 65072735
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(4-methylsulfonylphenyl)-1-propylazepan-4-amine
CID 65072534
N-(3-ethynylphenyl)-1-propylazepan-4-amine
CID 65073177
1-propyl-N-thiophen-3-ylazepan-4-amine
CID 66351874
6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43723406
5-[(4-aminocyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 79725031
N-(1-ethylazepan-4-yl)-1H-indazol-6-amine
CID 65073550
6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one
CID 43723132
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43766482

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one (CID 65072952) is 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one is CCCN1CCCC(Nc2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SOVFVORVRCOHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-8-20-9-3-4-12(7-10-20)17-13-5-6-14-15(11-13)19-16(21)18-14/h5-6,11-12,17H,2-4,7-10H2,1H3,(H2,18,19,21).
What are the key properties of 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 65072952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).