3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide

C15H15ClN4O2 — CID 135091741

IUPAC3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(c1[nH]c2ccccc2c1Cl)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C15H15ClN4O2/c16-13-10-3-1-2-4-11(10)19-14(13)15(22)20(7-8-21)9-12-17-5-6-18-12/h1-6,19,21H,7-9H2,(H,17,18)
InChIKeyGKNRWVKRHXNHLP-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.18
Rot. Bonds5

About 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide

3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 135091741) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID135091741
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(c1[nH]c2ccccc2c1Cl)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C15H15ClN4O2/c16-13-10-3-1-2-4-11(10)19-14(13)15(22)20(7-8-21)9-12-17-5-6-18-12/h1-6,19,21H,7-9H2,(H,17,18)
InChIKeyGKNRWVKRHXNHLP-UHFFFAOYSA-N
XLogP2.18
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide (CID 135091741) is 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide is O=C(c1[nH]c2ccccc2c1Cl)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is GKNRWVKRHXNHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-13-10-3-1-2-4-11(10)19-14(13)15(22)20(7-8-21)9-12-17-5-6-18-12/h1-6,19,21H,7-9H2,(H,17,18).
What are the key properties of 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide?
3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 135091741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).