(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide

C19H27N5O — CID 59468851

IUPAC(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C19H27N5O/c1-3-4-5-17(20)19(25)23(2)16-7-6-14-8-9-24(18(14)10-16)12-15-11-21-13-22-15/h6-7,10-11,13,17H,3-5,8-9,12,20H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyHHQSFIAHNGYWPA-KRWDZBQOSA-N
MW341.46 g/mol
LogP2.45
Rot. Bonds7

About (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide

(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide (PubChem CID 59468851) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide
PubChem CID59468851
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C19H27N5O/c1-3-4-5-17(20)19(25)23(2)16-7-6-14-8-9-24(18(14)10-16)12-15-11-21-13-22-15/h6-7,10-11,13,17H,3-5,8-9,12,20H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyHHQSFIAHNGYWPA-KRWDZBQOSA-N
XLogP2.45
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide with MolForge

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Related Compounds

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
methyl N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate
CID 59468790
N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide
CID 59468855
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate
CID 143737353
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-1,3-dimethylurea
CID 23729197
CID 158087875
CID 158087875
6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
CID 59435439

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide (CID 59468851) is (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide?
The InChIKey is HHQSFIAHNGYWPA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-4-5-17(20)19(25)23(2)16-7-6-14-8-9-24(18(14)10-16)12-15-11-21-13-22-15/h6-7,10-11,13,17H,3-5,8-9,12,20H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide?
(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide has a molecular weight of 341.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide is sourced from PubChem (CID 59468851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).