methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate

C18H25N5O — CID 143737353

IUPACmethyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate
SMILESCC/N=C(\OC)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H25N5O/c1-4-20-18(24-3)23(5-2)16-7-6-14-8-9-22(17(14)10-16)12-15-11-19-13-21-15/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,19,21)/b20-18-
InChIKeyGBCLRERSMSKVIF-ZZEZOPTASA-N
MW327.43 g/mol
LogP2.82
Rot. Bonds5

About methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate

methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate (PubChem CID 143737353) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate.

Molecular Properties

Compound Namemethyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate
PubChem CID143737353
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Namemethyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate
SMILESCC/N=C(\OC)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H25N5O/c1-4-20-18(24-3)23(5-2)16-7-6-14-8-9-22(17(14)10-16)12-15-11-19-13-21-15/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,19,21)/b20-18-
InChIKeyGBCLRERSMSKVIF-ZZEZOPTASA-N
XLogP2.82
TPSA56.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate 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

methyl N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate
CID 59468790
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 25173230
benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 59468824
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide
CID 59468855
(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide
CID 59468851
1-(1H-imidazol-5-ylmethyl)-5-methoxy-2,3-dihydroindole
CID 24951527
1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole
CID 59435411
CID 158087875
CID 158087875

Frequently Asked Questions

What is the IUPAC name of methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate?
The IUPAC name of methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate (CID 143737353) is methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate.
What is the SMILES notation for methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate?
The canonical SMILES for methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate is CC/N=C(\OC)N(CC)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate?
The InChIKey is GBCLRERSMSKVIF-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-20-18(24-3)23(5-2)16-7-6-14-8-9-22(17(14)10-16)12-15-11-19-13-21-15/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,19,21)/b20-18-.
What are the key properties of methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate?
methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate has a molecular weight of 327.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate is sourced from PubChem (CID 143737353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).