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

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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).