3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide

C20H29N5O2 — CID 10666935

IUPAC3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
SMILESCC(C)N1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1
InChIInChI=1S/C20H29N5O2/c1-15(2)23-13-11-22(12-14-23)10-9-21-19(26)25-18-6-4-3-5-17(18)24(20(25)27)16-7-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,21,26)
InChIKeyOOVLHGQOEXRBEL-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.72
Rot. Bonds5

About 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide

3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide (PubChem CID 10666935) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
PubChem CID10666935
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
SMILESCC(C)N1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1
InChIInChI=1S/C20H29N5O2/c1-15(2)23-13-11-22(12-14-23)10-9-21-19(26)25-18-6-4-3-5-17(18)24(20(25)27)16-7-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,21,26)
InChIKeyOOVLHGQOEXRBEL-UHFFFAOYSA-N
XLogP1.72
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
The IUPAC name of 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide (CID 10666935) is 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide is CC(C)N1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1.
What is the InChIKey of 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
The InChIKey is OOVLHGQOEXRBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15(2)23-13-11-22(12-14-23)10-9-21-19(26)25-18-6-4-3-5-17(18)24(20(25)27)16-7-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,21,26).
What are the key properties of 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-oxo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide is sourced from PubChem (CID 10666935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).