[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone

C18H28N4O — CID 164630651

IUPAC[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone
SMILESO=C([C@@H]1CCCc2[nH]cnc21)N1CCCN(CC2CCC2)CC1
InChIInChI=1S/C18H28N4O/c23-18(15-6-2-7-16-17(15)20-13-19-16)22-9-3-8-21(10-11-22)12-14-4-1-5-14/h13-15H,1-12H2,(H,19,20)/t15-/m1/s1
InChIKeyIZUOAMVDJNPKQS-OAHLLOKOSA-N
MW316.45 g/mol
LogP2.16
Rot. Bonds3

About [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone

[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone (PubChem CID 164630651) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone
PubChem CID164630651
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone
SMILESO=C([C@@H]1CCCc2[nH]cnc21)N1CCCN(CC2CCC2)CC1
InChIInChI=1S/C18H28N4O/c23-18(15-6-2-7-16-17(15)20-13-19-16)22-9-3-8-21(10-11-22)12-14-4-1-5-14/h13-15H,1-12H2,(H,19,20)/t15-/m1/s1
InChIKeyIZUOAMVDJNPKQS-OAHLLOKOSA-N
XLogP2.16
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone?
The IUPAC name of [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone (CID 164630651) is [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone.
What is the SMILES notation for [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone?
The canonical SMILES for [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone is O=C([C@@H]1CCCc2[nH]cnc21)N1CCCN(CC2CCC2)CC1.
What is the InChIKey of [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone?
The InChIKey is IZUOAMVDJNPKQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(15-6-2-7-16-17(15)20-13-19-16)22-9-3-8-21(10-11-22)12-14-4-1-5-14/h13-15H,1-12H2,(H,19,20)/t15-/m1/s1.
What are the key properties of [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone?
[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-[(4R)-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]methanone is sourced from PubChem (CID 164630651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).