N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide

C9H17N5O — CID 68897095

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1=NCCN1)N1CCCNCC1
InChIInChI=1S/C9H17N5O/c15-9(13-8-11-3-4-12-8)14-6-1-2-10-5-7-14/h10H,1-7H2,(H2,11,12,13,15)
InChIKeyPAOMKSYTXQFKAO-UHFFFAOYSA-N
MW211.27 g/mol
LogP-1.05
Rot. Bonds

About N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide

N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide (PubChem CID 68897095) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide
PubChem CID68897095
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESO=C(NC1=NCCN1)N1CCCNCC1
InChIInChI=1S/C9H17N5O/c15-9(13-8-11-3-4-12-8)14-6-1-2-10-5-7-14/h10H,1-7H2,(H2,11,12,13,15)
InChIKeyPAOMKSYTXQFKAO-UHFFFAOYSA-N
XLogP-1.05
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
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CID 127561429
3-[2-(1,4-diazepane-1-carbonylamino)phenyl]propanoic acid
CID 107274027
N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108811781
N-(4-piperazin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 79160722
1-(1,4-diazepan-1-yl)-2-(3-oxopiperazin-1-yl)ethane-1,2-dione
CID 43145084
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
1,5-diazocane-1-carboxylic acid
CID 141313557
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
2-(1,4-diazepane-1-carbonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801501
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,4-diazepane-1-carboxamide
CID 11661346

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide (CID 68897095) is N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide is O=C(NC1=NCCN1)N1CCCNCC1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is PAOMKSYTXQFKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c15-9(13-8-11-3-4-12-8)14-6-1-2-10-5-7-14/h10H,1-7H2,(H2,11,12,13,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide?
N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 211.27 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 68897095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).