1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide

C18H21N5O3 — CID 11164109

IUPAC1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide
SMILESCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1
InChIInChI=1S/C18H21N5O3/c1-12(25)21-14-3-2-13-4-6-22(17(13)8-14)7-5-15(10-24)23-9-16(18(19)26)20-11-23/h2-4,6,8-9,11,15,24H,5,7,10H2,1H3,(H2,19,26)(H,21,25)/t15-/m1/s1
InChIKeySAPHFHBWYNSYKG-OAHLLOKOSA-N
MW355.40 g/mol
LogP1.52
Rot. Bonds7

About 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide

1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide (PubChem CID 11164109) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide
PubChem CID11164109
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide
SMILESCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1
InChIInChI=1S/C18H21N5O3/c1-12(25)21-14-3-2-13-4-6-22(17(13)8-14)7-5-15(10-24)23-9-16(18(19)26)20-11-23/h2-4,6,8-9,11,15,24H,5,7,10H2,1H3,(H2,19,26)(H,21,25)/t15-/m1/s1
InChIKeySAPHFHBWYNSYKG-OAHLLOKOSA-N
XLogP1.52
TPSA115.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide (CID 11164109) is 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide is CC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1.
What is the InChIKey of 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The InChIKey is SAPHFHBWYNSYKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12(25)21-14-3-2-13-4-6-22(17(13)8-14)7-5-15(10-24)23-9-16(18(19)26)20-11-23/h2-4,6,8-9,11,15,24H,5,7,10H2,1H3,(H2,19,26)(H,21,25)/t15-/m1/s1.
What are the key properties of 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(6-acetamidoindol-1-yl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 11164109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).